-
1
-
-
0001178028
-
Orthomyxoviridae: The viruses and their replication
-
4th edn (ed. Knipe, D.M. & Howley, P.M.)
-
Lamb, R.A.K.R.M.; Orthomyxoviridae: the viruses and their replication. Fields Virology 4th edn. (ed. Knipe, D.M. & Howley, P.M.) 2001, 1487-1532.
-
(2001)
Fields Virology
, pp. 1487-1532
-
-
Lamb, R.A.K.R.M.1
-
2
-
-
0001178031
-
Orthomyxoviruses
-
4th edn (ed. Knipe, D.M. & Howley, P.M.)
-
Wright, P.F.W.; R.G, Orthomyxoviruses. Fields Virology 4th edn. (ed. Knipe, D.M. & Howley, P.M.) 2001, 1533-1579.
-
(2001)
Fields Virology
, pp. 1533-1579
-
-
Wright, P.F.W.1
-
3
-
-
0032712272
-
Epidemiology and pathogenesis of influenza
-
Zambon, M.C. Epidemiology and pathogenesis of influenza. J. Antimicrob. Chemother., 1999, 44, Suppl B, 3-9.
-
(1999)
J. Antimicrob. Chemother
, vol.44
, pp. 3-9
-
-
Zambon, M.C.1
-
4
-
-
69249138339
-
Diversity of influenza viruses in swine and the emergence of a novel human pandemic influenza A (H1N1)
-
Brockwell-Staats, C.; Webster, R.G.; Webby, R.J. Diversity of influenza viruses in swine and the emergence of a novel human pandemic influenza A (H1N1). Influenza Oth. Resp. Vir., 2009, 3 (5), 207-13.
-
(2009)
Influenza Oth. Resp. Vir
, vol.3
, Issue.5
, pp. 207-213
-
-
Brockwell-Staats, C.1
Webster, R.G.2
Webby, R.J.3
-
5
-
-
84878960538
-
Influenza Activity - United States, 2012-13 Season and Composition of the 2013-14 Influenza Vaccine
-
CDC
-
CDC, Influenza Activity - United States, 2012-13 Season and Composition of the 2013-14 Influenza Vaccine. Morbidity and Mortality Weekly Rep., 2013, 62 (23), 473-479.
-
(2013)
Morbidity and Mortality Weekly Rep
, vol.62
, Issue.23
, pp. 473-479
-
-
-
6
-
-
34250355170
-
Biology of influenza a virus
-
Cheung, T.K.; Poon, L.L.; Biology of influenza a virus. Ann. N.Y Acad Sci., 2007, 1102, 1-25.
-
(2007)
Ann. N.Y Acad Sci
, vol.1102
, pp. 1-25
-
-
Cheung, T.K.1
Poon, L.L.2
-
8
-
-
0033783032
-
Receptor binding and membrane fusion in virus entry: The influenza hemagglutinin
-
Skehel, J.J.; Wiley, D.C. Receptor binding and membrane fusion in virus entry: the influenza hemagglutinin. Annu. Rev. Biochem., 2000, 69, 531-69.
-
(2000)
Annu. Rev. Biochem
, vol.69
, pp. 531-569
-
-
Skehel, J.J.1
Wiley, D.C.2
-
9
-
-
38749106195
-
Structure and mechanism of the M2 proton channel of influenza A virus
-
Schnell, J.R.; Chou, J.J. Structure and mechanism of the M2 proton channel of influenza A virus. Nature, 2008, 451 (7178), 591-5.
-
(2008)
Nature
, vol.451
, Issue.7178
, pp. 591-595
-
-
Schnell, J.R.1
Chou, J.J.2
-
10
-
-
70450211764
-
Potential Targets and Their Relevant Inhibitors in Antiinfluenza Fields
-
Gong, J.Z.; Fang, H.; Li, M.Y.; Liu, Y.; Yang, K.H.; Liu, Y.Z.; Xu, W.F. Potential Targets and Their Relevant Inhibitors in Antiinfluenza Fields. Curr. Med. Chem., 2009, 16 (28), 3716-3739.
-
(2009)
Curr. Med. Chem
, vol.16
, Issue.28
, pp. 3716-3739
-
-
Gong, J.Z.1
Fang, H.2
Li, M.Y.3
Liu, Y.4
Yang, K.H.5
Liu, Y.Z.6
Xu, W.F.7
-
11
-
-
0035901509
-
The active-sites of the influenza capdependent endonuclease are on different polymerase subunits
-
Li, M.L.; Rao, P.; Krug, R.M. The active-sites of the influenza capdependent endonuclease are on different polymerase subunits. EMBO J., 2001, 20 (8), 2078-86.
-
(2001)
EMBO J
, vol.20
, Issue.8
, pp. 2078-2086
-
-
Li, M.L.1
Rao, P.2
Krug, R.M.3
-
12
-
-
43249128376
-
The structural basis for cap binding by influenza virus polymerase subunit PB2
-
Guilligay, D.; Tarendeau, F.; Resa-Infante, P.; Coloma, R.; Crepin, T.; Sehr, P.; Lewis, J.; Ruigrok, R.W.; Ortin, J.; Hart, D. J.; Cusack, S. The structural basis for cap binding by influenza virus polymerase subunit PB2. Nat. Struct. Mol. Biol., 2008, 15 (5), 500- 6.
-
(2008)
Nat. Struct. Mol. Biol
, vol.15
, Issue.5
, pp. 500-600
-
-
Guilligay, D.1
Tarendeau, F.2
Resa-Infante, P.3
Coloma, R.4
Crepin, T.5
Sehr, P.6
Lewis, J.7
Ruigrok, R.W.8
Ortin, J.9
Hart, D.J.10
Cusack, S.11
-
13
-
-
67249130012
-
The cap-snatching endonuclease of influenza virus polymerase resides in the PA subunit
-
Dias, A.; Bouvier, D.; Crepin, T.; McCarthy, A.A.; Hart, D.J.; Baudin, F.; Cusack, S.; Ruigrok, R. W. The cap-snatching endonuclease of influenza virus polymerase resides in the PA subunit. Nature, 2009, 458 (7240), 914-8.
-
(2009)
Nature
, vol.458
, Issue.7240
, pp. 914-918
-
-
Dias, A.1
Bouvier, D.2
Crepin, T.3
McCarthy, A.A.4
Hart, D.J.5
Baudin, F.6
Cusack, S.7
Ruigrok, R.W.8
-
14
-
-
67249100913
-
Crystal structure of an avian influenza polymerase PA(N) reveals an endonuclease active-site
-
Yuan, P.; Bartlam, M.; Lou, Z.; Chen, S.; Zhou, J.; He, X.; Lv, Z.; Ge, R.; Li, X.; Deng, T.; Fodor, E.; Rao, Z.; Liu, Y. Crystal structure of an avian influenza polymerase PA(N) reveals an endonuclease active-site. Nature, 2009, 458 (7240), 909-13.
-
(2009)
Nature
, vol.458
, Issue.7240
, pp. 909-913
-
-
Yuan, P.1
Bartlam, M.2
Lou, Z.3
Chen, S.4
Zhou, J.5
He, X.6
Lv, Z.7
Ge, R.8
Li, X.9
Deng, T.10
Fodor, E.11
Rao, Z.12
Liu, Y.13
-
15
-
-
0019394947
-
unique cap(m7GpppXm)-dependent influenza virion endonuclease cleaves capped RNAs to generate the primers that initiate viral RNA transcription
-
Plotch, S.J.; Bouloy, M.; Ulmanen, I.; Krug, R.M.A unique cap(m7GpppXm)-dependent influenza virion endonuclease cleaves capped RNAs to generate the primers that initiate viral RNA transcription. Cell, 1981, 23 (3), 847-58.
-
(1981)
Cell
, vol.23
, Issue.3
, pp. 847-858
-
-
Plotch, S.J.1
Bouloy, M.2
Ulmanen, I.3
Krug, R.M.A.4
-
16
-
-
0024784519
-
Identification of four conserved motifs among the RNA-dependent polymerase encoding elements
-
Poch, O.; Sauvaget, I.; Delarue, M.; Tordo, N. Identification of four conserved motifs among the RNA-dependent polymerase encoding elements. EMBO J., 1989, 8 (12), 3867-74.
-
(1989)
EMBO J
, vol.8
, Issue.12
, pp. 3867-3874
-
-
Poch, O.1
Sauvaget, I.2
Delarue, M.3
Tordo, N.4
-
17
-
-
0028118520
-
Mutational analysis of the conserved motifs of influenza A virus polymerase basic protein 1
-
Biswas, S.K.; Nayak, D.P. Mutational analysis of the conserved motifs of influenza A virus polymerase basic protein 1. J. Virol., 1994, 68 (3), 1819-26.
-
(1994)
J. Virol
, vol.68
, Issue.3
, pp. 1819-1826
-
-
Biswas, S.K.1
Nayak, D.P.2
-
18
-
-
79960320028
-
Computational studies of influenza A virus at three important targets: Hemagglutinin, neuraminidase and M2 protein
-
Rungrotmongkol, T.; Yotmanee, P.; Nunthaboot, N.; Hannongbua, S. Computational studies of influenza A virus at three important targets: hemagglutinin, neuraminidase and M2 protein. Curr. Pharm. Des., 2011, 17 (17), 1720-39.
-
(2011)
Curr. Pharm. Des
, vol.17
, Issue.17
, pp. 1720-1739
-
-
Rungrotmongkol, T.1
Yotmanee, P.2
Nunthaboot, N.3
Hannongbua, S.4
-
19
-
-
82955193130
-
Revision of QSAR, docking, and molecular modeling studies of anti-influenza virus A (H1N1) drugs and targets: Analysis of hemagglutinins 3D structure
-
Dave, K.; Gandhi, M.; Panchal, H.; Vaidya, M. Revision of QSAR, docking, and molecular modeling studies of anti-influenza virus A (H1N1) drugs and targets: analysis of hemagglutinins 3D structure. Curr. Comput. Aided Drug Des., 2011, 7 (4), 255-62.
-
(2011)
Curr. Comput. Aided Drug Des
, vol.7
, Issue.4
, pp. 255-262
-
-
Dave, K.1
Gandhi, M.2
Panchal, H.3
Vaidya, M.4
-
20
-
-
83455196211
-
Influenza neuraminidase: A druggable target for natural products
-
Grienke, U.; Schmidtke, M.; von Grafenstein, S.; Kirchmair, J.; Liedl, K. R.; Rollinger, J. M. Influenza neuraminidase: a druggable target for natural products. Nat. Prod. Rep., 2012, 29 (1), 11-36.
-
(2012)
Nat. Prod. Rep
, vol.29
, Issue.1
, pp. 11-36
-
-
Grienke, U.1
Schmidtke, M.2
von Grafenstein, S.3
Kirchmair, J.4
Liedl, K.R.5
Rollinger, J.M.6
-
21
-
-
29144433925
-
Oseltamivir resistance--disabling our influenza defenses
-
Moscona, A. Oseltamivir resistance--disabling our influenza defenses. N. Engl. J. Med., 2005, 353 (25), 2633-6.
-
(2005)
N. Engl. J. Med
, vol.353
, Issue.25
, pp. 2633-2636
-
-
Moscona, A.1
-
22
-
-
25844438380
-
I., Incidence of adamantane resistance among influenza A (H3N2) viruses isolated worldwide from 1994 to 2005: A cause for concern
-
Bright, R.A.; Medina, M.J.; Xu, X.; Perez-Oronoz, G.; Wallis, T.R.; Davis, X.M.; Povinelli, L.; Cox, N.J.; Klimov, A. I., Incidence of adamantane resistance among influenza A (H3N2) viruses isolated worldwide from 1994 to 2005: a cause for concern. Lancet, 2005, 366 (9492), 1175-81.
-
(2005)
Lancet
, vol.366
, Issue.9492
, pp. 1175-1181
-
-
Bright, R.A.1
Medina, M.J.2
Xu, X.3
Perez-Oronoz, G.4
Wallis, T.R.5
Davis, X.M.6
Povinelli, L.7
Cox, N.J.8
Klimov, A.9
-
23
-
-
79251551096
-
Dual resistance to adamantanes and oseltamivir among seasonal influenza A(H1N1) viruses: 2008-2010
-
Sheu, T.G.; Fry, A.M.; Garten, R.J.; Deyde, V.M.; Shwe, T.; Bullion, L.; Peebles, P.J.; Li, Y.; Klimov, A.I.; Gubareva, L.V. Dual resistance to adamantanes and oseltamivir among seasonal influenza A(H1N1) viruses: 2008-2010. J. Infect. Dis., 2011, 203 (1), 13-7.
-
(2011)
J. Infect. Dis
, vol.203
, Issue.1
, pp. 13-17
-
-
Sheu, T.G.1
Fry, A.M.2
Garten, R.J.3
Deyde, V.M.4
Shwe, T.5
Bullion, L.6
Peebles, P.J.7
Li, Y.8
Klimov, A.I.9
Gubareva, L.V.10
-
24
-
-
84866177810
-
Structural Analysis of Specific Metal Chelating Inhibitor Binding to the Endonuclease Domain of Influenza pH1N1 (2009) Polymerase
-
Kowalinski, E.; Zubieta, C.; Wolkerstorfer, A.; Szolar, O.H.; Ruigrok, R.W.; Cusack, S. Structural Analysis of Specific Metal Chelating Inhibitor Binding to the Endonuclease Domain of Influenza pH1N1 (2009) Polymerase. PLoS Pathog., 2012, 8 (8), e1002831.
-
(2012)
PLoS Pathog
, vol.8
, Issue.8
-
-
Kowalinski, E.1
Zubieta, C.2
Wolkerstorfer, A.3
Szolar, O.H.4
Ruigrok, R.W.5
Cusack, S.6
-
25
-
-
84866146827
-
Structural and Biochemical Basis for Development of Influenza Virus Inhibitors Targeting the PA Endonuclease
-
Dubois, R.M.; Slavish, P.J.; Baughman, B.M.; Yun, M.K.; Bao, J.; Webby, R.J.; Webb, T. R.; White, S.W. Structural and Biochemical Basis for Development of Influenza Virus Inhibitors Targeting the PA Endonuclease. PLoS Pathog., 2012, 8 (8), e1002830.
-
(2012)
PLoS Pathog
, vol.8
, Issue.8
-
-
Dubois, R.M.1
Slavish, P.J.2
Baughman, B.M.3
Yun, M.K.4
Bao, J.5
Webby, R.J.6
Webb, T.R.7
White, S.W.8
-
26
-
-
84879097893
-
3-Hydroxyquinolin- 2(1H)-ones as Inhibitors of In-fluenza A Endonuclease
-
Sagong, H.Y.; Parhi, A.; Bauman, J.D.; Patel, D.; Vijayan, R.S.K.; Das, K.; Arnold, E.; LaVoie, E.J.; 3-Hydroxyquinolin- 2(1H)-ones as Inhibitors of In-fluenza A Endonuclease. ACS Med. Chem. Lett., 2013, 4 (6), 547-550.
-
(2013)
ACS Med. Chem. Lett
, vol.4
, Issue.6
, pp. 547-550
-
-
Sagong, H.Y.1
Parhi, A.2
Bauman, J.D.3
Patel, D.4
Vijayan, R.S.K.5
Das, K.6
Arnold, E.7
LaVoie, E.J.8
-
27
-
-
33749260698
-
A critical assessment of docking programs and scoring functions
-
Warren, G.L.; Andrews, C.W.; Capelli, A.M.; Clarke, B.; LaLonde, J.; Lambert, M.H.; Lindvall, M.; Nevins, N.; Semus, S. F.; Senger, S.; Tedesco, G.; Wall, I.D.; Woolven, J.M.; Peishoff, C.E.; Head, M.S. A critical assessment of docking programs and scoring functions. J. Med. Chem., 2006, 49 (20), 5912-5931.
-
(2006)
J. Med. Chem
, vol.49
, Issue.20
, pp. 5912-5931
-
-
Warren, G.L.1
Andrews, C.W.2
Capelli, A.M.3
Clarke, B.4
LaLonde, J.5
Lambert, M.H.6
Lindvall, M.7
Nevins, N.8
Semus, S.F.9
Senger, S.10
Tedesco, G.11
Wall, I.D.12
Woolven, J.M.13
Peishoff, C.E.14
Head, M.S.15
-
28
-
-
33749245117
-
Prediction of proteinligand interactions. Docking and scoring: Successes and gaps
-
Leach, A.R.; Shoichet, B.K.; Peishoff, C.E. Prediction of proteinligand interactions. Docking and scoring: successes and gaps. J. Med. Chem., 2006, 49 (20), 5851-5.
-
(2006)
J. Med. Chem
, vol.49
, Issue.20
, pp. 5851-5855
-
-
Leach, A.R.1
Shoichet, B.K.2
Peishoff, C.E.3
-
29
-
-
79957946803
-
Pharmacophore modelling: A forty year old approach and its modern synergies
-
Caporuscio, F.; Tafi, A. Pharmacophore modelling: a forty year old approach and its modern synergies. Curr. Med. Chem., 2011, 18 (17), 2543-53.
-
(2011)
Curr. Med. Chem
, vol.18
, Issue.17
, pp. 2543-2553
-
-
Caporuscio, F.1
Tafi, A.2
-
30
-
-
77950522305
-
Pharmacophore based drug design approach as a practical process in drug discovery
-
Gao, Q.; Yang, L.; Zhu, Y. Pharmacophore based drug design approach as a practical process in drug discovery. Curr. Comput. Aided Drug Des.,2010, 6 (1), 37-49.
-
(2010)
Curr. Comput. Aided Drug Des
, vol.6
, Issue.1
, pp. 37-49
-
-
Gao, Q.1
Yang, L.2
Zhu, Y.3
-
31
-
-
0021871375
-
A computational procedure for determining energetically favorable binding sites on biologically important macromolecules
-
Goodford, P.J. A computational procedure for determining energetically favorable binding sites on biologically important macromolecules. J. Med. Chem., 1985, 28 (7), 849-57.
-
(1985)
J. Med. Chem
, vol.28
, Issue.7
, pp. 849-857
-
-
Goodford, P.J.1
-
32
-
-
84862291381
-
A prospective cross-screening study on G-proteincoupled receptors: Lessons learned in virtual compound library design
-
Sanders, M.P.; Roumen, L.; van der Horst, E.; Lane, J.R.; Vischer, H.F.; van Offenbeek, J.; de Vries, H.; Verhoeven, S.; Chow, K.Y.; Verkaar, F.; Beukers, M.W.; McGuire, R.; Leurs, R.; Ijzerman, A.P.; de Vlieg, J.; de Esch, I.J.; Zaman, G.J.; Klomp, J.P.; Bender, A.; de Graaf, C. A prospective cross-screening study on G-proteincoupled receptors: lessons learned in virtual compound library design. J. Med. Chem., 2012, 55 (11), 5311-25.
-
(2012)
J. Med. Chem
, vol.55
, Issue.11
, pp. 5311-5325
-
-
Sanders, M.P.1
Roumen, L.2
van der Horst, E.3
Lane, J.R.4
Vischer, H.F.5
van Offenbeek, J.6
de Vries, H.7
Verhoeven, S.8
Chow, K.Y.9
Verkaar, F.10
Beukers, M.W.11
McGuire, R.12
Leurs, R.13
Ijzerman, A.P.14
de Vlieg, J.15
de Esch, I.J.16
Zaman, G.J.17
Klomp, J.P.18
Bender, A.19
de Graaf, C.20
more..
-
33
-
-
78650727351
-
Conformations and 3D pharmacophore searching
-
Schwab, C.H. Conformations and 3D pharmacophore searching. Drug Discov. Today, 2010, 7 (4), e245-e253.
-
(2010)
Drug Discov. Today
, vol.7
, Issue.4
, pp. e245-e253
-
-
Schwab, C.H.1
-
34
-
-
33644867878
-
Dynamic pharmacophore model optimization: Identification of novel HIV-1 integrase inhibitors
-
Deng, J.; Sanchez, T.; Neamati, N.; Briggs, J.M. Dynamic pharmacophore model optimization: identification of novel HIV-1 integrase inhibitors. J. Med. Chem., 2006, 49 (5), 1684-92.
-
(2006)
J. Med. Chem
, vol.49
, Issue.5
, pp. 1684-1692
-
-
Deng, J.1
Sanchez, T.2
Neamati, N.3
Briggs, J.M.4
-
35
-
-
0034212669
-
Developing a dynamic pharmacophore model for HIV-1 integrase
-
Carlson, H.A.; Masukawa, K.M.; Rubins, K.; Bushman, F.D.; Jorgensen, W.L.; Lins, R.D.; Briggs, J.M.; McCammon, J.A. Developing a dynamic pharmacophore model for HIV-1 integrase. J. Med. Chem., 2000, 43 (11), 2100-14.
-
(2000)
J. Med. Chem
, vol.43
, Issue.11
, pp. 2100-2114
-
-
Carlson, H.A.1
Masukawa, K.M.2
Rubins, K.3
Bushman, F.D.4
Jorgensen, W.L.5
Lins, R.D.6
Briggs, J.M.7
McCammon, J.A.8
-
36
-
-
0037499658
-
A structure-based design approach for the identification of novel inhibitors: Application to an alanine racemase
-
Mustata, G.I.; Briggs, J.M. A structure-based design approach for the identification of novel inhibitors: application to an alanine racemase. J. Comput. Aided. Mol. Des., 2002, 16 (12), 935-53.
-
(2002)
J. Comput. Aided. Mol. Des
, vol.16
, Issue.12
, pp. 935-953
-
-
Mustata, G.I.1
Briggs, J.M.2
-
37
-
-
0141891817
-
Molecular dynamics studies of alanine racemase: A structural model for drug design
-
Mustata, G.I.; Soares, T.A.; Briggs, J.M. Molecular dynamics studies of alanine racemase: a structural model for drug design. Biopolymers, 2003, 70 (2), 186-200.
-
(2003)
Biopolymers
, vol.70
, Issue.2
, pp. 186-200
-
-
Mustata, G.I.1
Soares, T.A.2
Briggs, J.M.3
-
38
-
-
13544275571
-
Virtual screening against highly charged active-sites: Identifying substrates of alphabeta barrel enzymes
-
Kalyanaraman, C.; Bernacki, K.; Jacobson, M.P. Virtual screening against highly charged active-sites: Identifying substrates of alphabeta barrel enzymes. Biochemistry, 2005, 44 (6), 2059-2071.
-
(2005)
Biochemistry
, vol.44
, Issue.6
, pp. 2059-2071
-
-
Kalyanaraman, C.1
Bernacki, K.2
Jacobson, M.P.3
-
39
-
-
84868123535
-
Pharmacophore-based virtual screening to aid in the identification of unknown protein function
-
Mallipeddi, P.L.; Joshi, M.; Briggs, J.M. Pharmacophore-based virtual screening to aid in the identification of unknown protein function. Chem. Biol. Drug Des., 2012, 80 (6), 828-42.
-
(2012)
Chem. Biol. Drug Des
, vol.80
, Issue.6
, pp. 828-842
-
-
Mallipeddi, P.L.1
Joshi, M.2
Briggs, J.M.3
-
40
-
-
78149410394
-
pK(a) based protonation states and microspecies for protein-ligand docking
-
ten Brink, T.; Exner, T.E. pK(a) based protonation states and microspecies for protein-ligand docking. J. Comput. Aided Mol. Des., 2010, 24(11), 935-42.
-
(2010)
J. Comput. Aided Mol. Des
, vol.24
, Issue.11
, pp. 935-942
-
-
ten Brink, T.1
Exner, T.E.2
-
41
-
-
70349310248
-
Automated site preparation in physics-based rescoring of receptor ligand complexes
-
Rapp, C.S.; Schonbrun, C.; Jacobson, M.P.; Kalyanaraman, C.; Huang, N. Automated site preparation in physics-based rescoring of receptor ligand complexes. Proteins-Structure Fun. Bioinform., 2009, 77 (1), 52-61.
-
(2009)
Proteins-Structure Fun. Bioinform
, vol.77
, Issue.1
, pp. 52-61
-
-
Rapp, C.S.1
Schonbrun, C.2
Jacobson, M.P.3
Kalyanaraman, C.4
Huang, N.5
-
42
-
-
34447502162
-
Prediction and assignment of function for a divergent N-succinyl amino acid racemase
-
Song, L.; Kalyanaraman, C.; Fedorov, A.A.; Fedorov, E.V.; Glasner, M.E.; Brown, S.; Imker, H.J.; Babbitt, P.C.; Almo, S.C.; Jacobson, M.P.; Gerlt, J.A. Prediction and assignment of function for a divergent N-succinyl amino acid racemase. Nat. Chem. Biol., 2007, 3(8), 486-91.
-
(2007)
Nat. Chem. Biol
, vol.3
, Issue.8
, pp. 486-491
-
-
Song, L.1
Kalyanaraman, C.2
Fedorov, A.A.3
Fedorov, E.V.4
Glasner, M.E.5
Brown, S.6
Imker, H.J.7
Babbitt, P.C.8
Almo, S.C.9
Jacobson, M.P.10
Gerlt, J.A.11
-
43
-
-
33845458652
-
Predicting substrates by docking high-energy intermediates to enzyme structures
-
Hermann, J.C.; Ghanem, E.; Li, Y.; Raushel, F.M.; Irwin, J.J.; Shoichet, B.K. Predicting substrates by docking high-energy intermediates to enzyme structures. J. Am. Chem. Soc., 2006, 128(49), 15882-91.
-
(2006)
J. Am. Chem. Soc
, vol.128
, Issue.49
, pp. 15882-15891
-
-
Hermann, J.C.1
Ghanem, E.2
Li, Y.3
Raushel, F.M.4
Irwin, J.J.5
Shoichet, B.K.6
-
44
-
-
34547939672
-
Structure-based activity prediction for an enzyme of unknown function
-
Hermann, J.C.; Marti-Arbona, R.; Fedorov, A.A.; Fedorov, E.; Almo, S.C.; Shoichet, B.K.; Raushel, F.M. Structure-based activity prediction for an enzyme of unknown function. Nature, 2007, 448(7155), 775-9.
-
(2007)
Nature
, vol.448
, Issue.7155
, pp. 775-779
-
-
Hermann, J.C.1
Marti-Arbona, R.2
Fedorov, A.A.3
Fedorov, E.4
Almo, S.C.5
Shoichet, B.K.6
Raushel, F.M.7
-
45
-
-
77954274507
-
Evaluation of the Performance of Four Molecular Docking Programs on a Diverse Set of Protein-Ligand Complexes
-
Li, X.; Li, Y.; Cheng, T.J.; Liu, Z.H.; Wang, R.X. Evaluation of the Performance of Four Molecular Docking Programs on a Diverse Set of Protein-Ligand Complexes. J. Comput. Chem., 2010, 31(11), 2109-2125.
-
(2010)
J. Comput. Chem
, vol.31
, Issue.11
, pp. 2109-2125
-
-
Li, X.1
Li, Y.2
Cheng, T.J.3
Liu, Z.H.4
Wang, R.X.5
-
46
-
-
1642540577
-
Evaluation of docking performance: Comparative data on docking algorithms
-
Kontoyianni, M.; McClellan, L.M.; Sokol, G.S. Evaluation of docking performance: Comparative data on docking algorithms. J. Med. Chem., 2004, 47(3), 558-565.
-
(2004)
J. Med. Chem
, vol.47
, Issue.3
, pp. 558-565
-
-
Kontoyianni, M.1
McClellan, L.M.2
Sokol, G.S.3
-
47
-
-
84867766726
-
Protein Flexibility in Virtual Screening: The BACE-1 Case Study
-
Cosconati, S.; Marinelli, L.; Di Leva, F.S.; La Pietra, V.; De Simone, A.; Mancini, F.; Andrisano, V.; Novellino, E.; Goodsell, D.S.; Olson, A.J. Protein Flexibility in Virtual Screening: The BACE-1 Case Study. J. Chem. Inf. Model, 2012, 52(10), 2697- 2704.
-
(2012)
J. Chem. Inf. Model
, vol.52
, Issue.10
, pp. 2697-2704
-
-
Cosconati, S.1
Marinelli, L.2
Di Leva, F.S.3
La Pietra, V.4
De Simone, A.5
Mancini, F.6
Andrisano, V.7
Novellino, E.8
Goodsell, D.S.9
Olson, A.J.10
-
48
-
-
84867773348
-
Integrating Ligand-Based and Protein- Centric Virtual Screening of Kinase Inhibitors Using Ensembles of Multiple Protein Kinase Genes and Conformations
-
Dixit, A.; Verkhivker, G.M. Integrating Ligand-Based and Protein- Centric Virtual Screening of Kinase Inhibitors Using Ensembles of Multiple Protein Kinase Genes and Conformations. J. Chem. Inf. Model, 2012, 52(10), 2501-2515.
-
(2012)
J. Chem. Inf. Model
, vol.52
, Issue.10
, pp. 2501-2515
-
-
Dixit, A.1
Verkhivker, G.M.2
-
49
-
-
84862282513
-
Exploring Protein Flexibility: Incorporating Structural Ensembles From Crystal Structures and Simulation into Virtual Screening Protocols
-
Osguthorpe, D.J.; Sherman, W.; Hagler, A. T. Exploring Protein Flexibility: Incorporating Structural Ensembles From Crystal Structures and Simulation into Virtual Screening Protocols. J. Phys. Chem. B., 2012, 116(23), 6952-6959.
-
(2012)
J. Phys. Chem. B
, vol.116
, Issue.23
, pp. 6952-6959
-
-
Osguthorpe, D.J.1
Sherman, W.2
Hagler, A.T.3
-
50
-
-
84867471192
-
Top-hits for H1N1pdm Identified by Virtual Screening Using Ensemble-based Docking
-
Nguyen, H.; Le, L.; Truong, T.N. Top-hits for H1N1pdm Identified by Virtual Screening Using Ensemble-based Docking. PLoS Curr., 2009, 3, RRN1030.
-
(2009)
PLoS Curr
, vol.3
, pp. 1030
-
-
Nguyen, H.1
Le, L.2
Truong, T.N.3
-
51
-
-
46849105028
-
Ensemble-based virtual screening reveals potential novel antiviral compounds for avian influenza neuraminidase
-
Cheng, L.S.; Amaro, R.E.; Xu, D.; Li, W.W.; Arzberger, P.W.; McCammon, J.A. Ensemble-based virtual screening reveals potential novel antiviral compounds for avian influenza neuraminidase. J. Med. Chem., 2008, 51(13), 3878-94.
-
(2008)
J. Med. Chem
, vol.51
, Issue.13
, pp. 3878-3894
-
-
Cheng, L.S.1
Amaro, R.E.2
Xu, D.3
Li, W.W.4
Arzberger, P.W.5
McCammon, J.A.6
-
52
-
-
0037157153
-
Computational drug design accommodating receptor flexibility: The relaxed complex scheme
-
Lin, J.H.; Perryman, A.L.; Schames, J.R.; McCammon, J.A., Computational drug design accommodating receptor flexibility: the relaxed complex scheme. J. Am. Chem. Soc., 2002, 124(20), 5632-3.
-
(2002)
J Am. Chem. Soc
, vol.124
, Issue.20
, pp. 5632-5633
-
-
Lin, J.H.1
Perryman, A.L.2
Schames, J.R.3
McCammon, J.A.4
-
53
-
-
50249114683
-
An improved relaxed complex scheme for receptor flexibility in computer-aided drug design
-
Amaro, R.E.; Baron, R.; McCammon, J.A. An improved relaxed complex scheme for receptor flexibility in computer-aided drug design. J. Comput. Aided Mol. Des., 2008, 22(9), 693-705.
-
(2008)
J. Comput. Aided Mol. Des
, vol.22
, Issue.9
, pp. 693-705
-
-
Amaro, R.E.1
Baron, R.2
McCammon, J.A.3
-
54
-
-
84867760558
-
ALiBERO: Evolving a team of complementary pocket conformations rather than a single leader
-
Rueda, M.; Totrov, M.; Abagyan, R. ALiBERO: evolving a team of complementary pocket conformations rather than a single leader. J. Chem. Inf. Model, 2012, 52(10), 2705-14.
-
(2012)
J. Chem. Inf. Model
, vol.52
, Issue.10
, pp. 2705-2714
-
-
Rueda, M.1
Totrov, M.2
Abagyan, R.3
-
55
-
-
65249120827
-
Consistent improvement of cross-docking results using binding site ensembles generated with elastic network normal modes
-
Rueda, M.; Bottegoni, G.; Abagyan, R. Consistent improvement of cross-docking results using binding site ensembles generated with elastic network normal modes. J. Chem. Inf. Model, 2009, 49(3), 716-25.
-
(2009)
J. Chem. Inf. Model
, vol.49
, Issue.3
, pp. 716-725
-
-
Rueda, M.1
Bottegoni, G.2
Abagyan, R.3
-
56
-
-
47249102090
-
A new method for ligand docking to flexible receptors by dual alanine scanning and refinement (SCARE)
-
Bottegoni, G.; Kufareva, I.; Totrov, M.; Abagyan, R. A new method for ligand docking to flexible receptors by dual alanine scanning and refinement (SCARE). J. Comput. Aided Mol. Des, 2008, 22(5), 311-25.
-
(2008)
J. Comput. Aided Mol. Des
, vol.22
, Issue.5
, pp. 311-325
-
-
Bottegoni, G.1
Kufareva, I.2
Totrov, M.3
Abagyan, R.4
-
57
-
-
84864000092
-
Generation of Receptor Structural Ensembles for Virtual Screening Using Binding Site Shape Analysis and Clustering
-
Osguthorpe, D.J.; Sherman, W.; Hagler, A.T. Generation of Receptor Structural Ensembles for Virtual Screening Using Binding Site Shape Analysis and Clustering. Chem. Biol. Drug Des., 2012, 80(2), 182-193.
-
(2012)
Chem. Biol. Drug Des
, vol.80
, Issue.2
, pp. 182-193
-
-
Osguthorpe, D.J.1
Sherman, W.2
Hagler, A.T.3
-
58
-
-
84871381838
-
Accounting for receptor flexibility and enhanced sampling methods in computer-aided drug design
-
Sinko, W.; Lindert, S.; McCammon, J. A. Accounting for receptor flexibility and enhanced sampling methods in computer-aided drug design. Chem. Biol. Drug Des., 2013, 81(1), 41-9.
-
(2013)
Chem. Biol. Drug Des
, vol.81
, Issue.1
, pp. 41-49
-
-
Sinko, W.1
Lindert, S.2
McCammon, J.A.3
-
59
-
-
78649893079
-
Accommodating protein flexibility for structure-based drug design
-
Lin, J. H. Accommodating protein flexibility for structure-based drug design. Curr. Top. Med. Chem., 2011, 11(2), 171-8.
-
(2011)
Curr. Top. Med. Chem
, vol.11
, Issue.2
, pp. 171-178
-
-
Lin, J.H.1
-
60
-
-
78649867646
-
Accounting for Induced-Fit Effects in Docking: What is Possible and What is Not?
-
Sotriffer, C. A. Accounting for Induced-Fit Effects in Docking: What is Possible and What is Not? Curr. Top. Med. Chem., 2011, 11(2), 179-191.
-
(2011)
Curr. Top. Med. Chem
, vol.11
, Issue.2
, pp. 179-191
-
-
Sotriffer, C.A.1
-
61
-
-
13944263886
-
Comparison of automated docking programs as virtual screening tools
-
Cummings, M. D.; DesJarlais, R.L.; Gibbs, A.C.; Mohan, V.; Jaeger, E.P. Comparison of automated docking programs as virtual screening tools. J. Med. Chem., 2005, 48(4), 962-976.
-
(2005)
J. Med. Chem
, vol.48
, Issue.4
, pp. 962-976
-
-
Cummings, M.D.1
DesJarlais, R.L.2
Gibbs, A.C.3
Mohan, V.4
Jaeger, E.P.5
-
62
-
-
64049102289
-
Binding of small-molecule ligands to proteins: "what you see" is not always "what you get"
-
Mobley, D.L.; Dill, K.A. Binding of small-molecule ligands to proteins: "what you see" is not always "what you get". Structure, 2009, 17(4), 489-98.
-
(2009)
Structure
, vol.17
, Issue.4
, pp. 489-498
-
-
Mobley, D.L.1
Dill, K.A.2
-
63
-
-
33749242759
-
Contribution of conformer focusing to the uncertainty in predicting free energies for protein-ligand binding
-
Tirado-Rives, J.; Jorgensen, W.L. Contribution of conformer focusing to the uncertainty in predicting free energies for protein-ligand binding. J. Med. Chem., 2006, 49(20), 5880-4.
-
(2006)
J. Med. Chem
, vol.49
, Issue.20
, pp. 5880-5884
-
-
Tirado-Rives, J.1
Jorgensen, W.L.2
-
64
-
-
0031788539
-
Molecular dynamics and continuum solvent studies of the stability of polyG-polyC and polyA-polyT DNA duplexes in solution
-
Cheatham, T.E.; 3rd; Srinivasan, J.; Case, D.A.; Kollman, P.A. Molecular dynamics and continuum solvent studies of the stability of polyG-polyC and polyA-polyT DNA duplexes in solution. J. Biomol. Stru. Dyn., 1998, 16(2), 265-80.
-
(1998)
J. Biomol. Stru. Dyn
, vol.16
, Issue.2
, pp. 265-280
-
-
Cheatham, T.E.1
Srinivasan, J.2
Case, D.A.3
Kollman, P.A.4
-
65
-
-
0032466648
-
Continuum solvent studies of the stability of RNA hairpin loops and helices
-
Srinivasan, J.; Miller, J.; Kollman, P.A.; Case, D.A. Continuum solvent studies of the stability of RNA hairpin loops and helices. J. Biomol. Stru. Dyn., 1998, 16(3), 671-82.
-
(1998)
J. Biomol. Stru. Dyn
, vol.16
, Issue.3
, pp. 671-682
-
-
Srinivasan, J.1
Miller, J.2
Kollman, P.A.3
Case, D.A.4
-
66
-
-
0034521981
-
3rd, Calculating structures and free energies of complex molecules: Combining molecular mechanics and continuum models
-
Kollman, P.A.; Massova, I.; Reyes, C.; Kuhn, B.; Huo, S.; Chong, L.; Lee, M.; Lee, T.; Duan, Y.; Wang, W.; Donini, O.; Cieplak, P.; Srinivasan, J.; Case, D.A.; Cheatham, T.E. 3rd, Calculating structures and free energies of complex molecules: combining molecular mechanics and continuum models. Acc. Chem. Res., 2000, 33(12), 889-97.
-
(2000)
Acc. Chem. Res
, vol.33
, Issue.12
, pp. 889-897
-
-
Kollman, P.A.1
Massova, I.2
Reyes, C.3
Kuhn, B.4
Huo, S.5
Chong, L.6
Lee, M.7
Lee, T.8
Duan, Y.9
Wang, W.10
Donini, O.11
Cieplak, P.12
Srinivasan, J.13
Case, D.A.14
Cheatham, T.E.15
-
67
-
-
84873642828
-
Modeling Local Structural Rearrangements Using FEP/REST: Application to Relative Binding Affinity Predictions of CDK2Inhibitors
-
Lingle, W.; Jennifer, Y.D.; Knight, L.; Yujie, W.; Byungchan, K.; Woody, S.; John, C.; Shelley, T.L.; Robert A. Modeling Local Structural Rearrangements Using FEP/REST: Application to Relative Binding Affinity Predictions of CDK2Inhibitors. J. Chem. Theory Comput., 2013, 9, 1282-1293.
-
(2013)
J. Chem. Theory Comput
, vol.9
, pp. 1282-1293
-
-
Lingle, W.1
Jennifer, Y.D.2
Knight, L.3
Yujie, W.4
Byungchan, K.5
Woody, S.6
John, C.7
Shelley, T.L.8
Robert, A.9
-
68
-
-
33749242403
-
PMF scoring revisited
-
Muegge, I. PMF scoring revisited. J. Med. Chem., 2006, 49(20), 5895-5902.
-
(2006)
J. Med. Chem
, vol.49
, Issue.20
, pp. 5895-5902
-
-
Muegge, I.1
-
69
-
-
33749239216
-
M-score: A knowledgebased potential scoring function accounting for protein atom mobility
-
Yang, C.Y.; Wang, R.X.; Wang, S.M. M-score: A knowledgebased potential scoring function accounting for protein atom mobility. J. Med. Chem., 2006, 49(20), 5903-5911.
-
(2006)
J. Med. Chem
, vol.49
, Issue.20
, pp. 5903-5911
-
-
Yang, C.Y.1
Wang, R.X.2
Wang, S.M.3
-
70
-
-
33244490820
-
Physicsbased scoring of protein-ligand complexes: Enrichment of known inhibitors in large-scale virtual screening
-
Huang, N.; Kalyanaraman, C.; Irwin, J.J.; Jacobson, M.P., Physicsbased scoring of protein-ligand complexes: Enrichment of known inhibitors in large-scale virtual screening. J. Chem. Inf. Model, 2006, 46(1), 243-253.
-
(2006)
J Chem. Inf. Model
, vol.46
, Issue.1
, pp. 243-253
-
-
Huang, N.1
Kalyanaraman, C.2
Irwin, J.J.3
Jacobson, M.P.4
-
71
-
-
26944477331
-
Virtual ligand screening against Escherichia coli dihydrofolate reductase: Improving docking enrichment using physics-based methods
-
Bernacki, K.; Kalyanaraman, C.; Jacobson, M.P. Virtual ligand screening against Escherichia coli dihydrofolate reductase: Improving docking enrichment using physics-based methods. J. Biomol. Screen, 2005, 10(7), 675-681.
-
(2005)
J. Biomol. Screen
, vol.10
, Issue.7
, pp. 675-681
-
-
Bernacki, K.1
Kalyanaraman, C.2
Jacobson, M.P.3
-
72
-
-
1942471391
-
Assessing scoring functions for protein-ligand interactions
-
Ferrara, P.; Gohlke, H.; Price, D.J.; Klebe, G.; Brooks, C.L. Assessing scoring functions for protein-ligand interactions. J. Med. Chem., 2004, 47(12), 3032-3047.
-
(2004)
J. Med. Chem
, vol.47
, Issue.12
, pp. 3032-3047
-
-
Ferrara, P.1
Gohlke, H.2
Price, D.J.3
Klebe, G.4
Brooks, C.L.5
-
73
-
-
0036382728
-
A model binding site for testing scoring functions in molecular docking
-
Wei, B.Q.Q.; Baase, W.A.; Weaver, L.H.; Matthews, B.W.; Shoichet, B.K. A model binding site for testing scoring functions in molecular docking. J. Mol. Biol., 2002, 322(2), 339-355.
-
(2002)
J. Mol. Biol
, vol.322
, Issue.2
, pp. 339-355
-
-
Wei, B.Q.Q.1
Baase, W.A.2
Weaver, L.H.3
Matthews, B.W.4
Shoichet, B.K.5
-
74
-
-
0028454828
-
The Development of a Simple Empirical Scoring Function to Estimate the Binding Constant for a Protein Ligand Complex of Known 3-Dimensional Structure
-
Bohm, H. J. The Development of a Simple Empirical Scoring Function to Estimate the Binding Constant for a Protein Ligand Complex of Known 3-Dimensional Structure. J. Comput. Aided Mol. Des., 1994, 8(3), 243-256.
-
(1994)
J. Comput. Aided Mol. Des
, vol.8
, Issue.3
, pp. 243-256
-
-
Bohm, H.J.1
-
75
-
-
0031226772
-
Empirical scoring functions .1. The development of a fast empirical scoring function to estimate the binding affinity of ligands in receptor complexes
-
Eldridge, M.D.; Murray, C.W.; Auton, T.R.; Paolini, G.V.; Mee, R.P. Empirical scoring functions .1. The development of a fast empirical scoring function to estimate the binding affinity of ligands in receptor complexes. J. Comput. Aided Mol. Des., 1997, 11(5), 425- 445.
-
(1997)
J. Comput. Aided Mol. Des
, vol.11
, Issue.5
, pp. 425-445
-
-
Eldridge, M.D.1
Murray, C.W.2
Auton, T.R.3
Paolini, G.V.4
Mee, R.P.5
-
76
-
-
33646740651
-
Parameter estimation for scoring proteinligand interactions using negative training data
-
Pham, T.A.; Jain, A.N. Parameter estimation for scoring proteinligand interactions using negative training data. J. Med. Chem., 2006, 49(20), 5856-5868.
-
(2006)
J. Med. Chem
, vol.49
, Issue.20
, pp. 5856-5868
-
-
Pham, T.A.1
Jain, A.N.2
-
77
-
-
33745726733
-
CIRSE: A solvation energy estimator compatible with flexible protein docking and design applications
-
Cerutti, D.S.; Jain, T.; McCammon, J.A. CIRSE: A solvation energy estimator compatible with flexible protein docking and design applications. Pro. Sci., 2006, 15(7), 1579-1596.
-
(2006)
Pro. Sci
, vol.15
, Issue.7
, pp. 1579-1596
-
-
Cerutti, D.S.1
Jain, T.2
McCammon, J.A.3
-
78
-
-
65249117481
-
Validation of molecular docking programs for virtual screening against dihydropteroate synthase
-
Hevener, K.E.; Zhao, W.; Ball, D.M.; Babaoglu, K.; Qi, J.; White, S.W.; Lee, R.E. Validation of molecular docking programs for virtual screening against dihydropteroate synthase. J. Chem. Inf. Model, 2009, 49(2), 444-60.
-
(2009)
J. Chem. Inf. Model
, vol.49
, Issue.2
, pp. 444-460
-
-
Hevener, K.E.1
Zhao, W.2
Ball, D.M.3
Babaoglu, K.4
Qi, J.5
White, S.W.6
Lee, R.E.7
-
79
-
-
78149244916
-
Identification of Non-Peptide Malignant Brain Tumor (MBT) Repeat Antagonists by Virtual Screening of Commercially Available Compounds
-
Kireev, D.; Wigle, T. J.; Norris-Drouin, J.; Herold, J. M.; Janzen, W. P.; Frye, S. V. Identification of Non-Peptide Malignant Brain Tumor (MBT) Repeat Antagonists by Virtual Screening of Commercially Available Compounds. J. Med. Chem., 2010, 53(21), 7625-7631.
-
(2010)
J. Med. Chem
, vol.53
, Issue.21
, pp. 7625-7631
-
-
Kireev, D.1
Wigle, T.J.2
Norris-Drouin, J.3
Herold, J.M.4
Janzen, W.P.5
Frye, S.V.6
-
80
-
-
77957841701
-
Pharmacophore modeling and virtual screening studies for new VEGFR-2 kinase inhibitors
-
Lee, K.; Jeong, K.W.; Lee, Y.; Song, J.Y.; Kim, M.S.; Lee, G.S.; Kim, Y. Pharmacophore modeling and virtual screening studies for new VEGFR-2 kinase inhibitors. Eur. J. Med. Chem., 2010, 45(11), 5420-5427.
-
(2010)
Eur. J. Med. Chem
, vol.45
, Issue.11
, pp. 5420-5427
-
-
Lee, K.1
Jeong, K.W.2
Lee, Y.3
Song, J.Y.4
Kim, M.S.5
Lee, G.S.6
Kim, Y.7
-
81
-
-
58549089210
-
Virtual Screening and Biological Characterization of Novel Histone Arginine Methyltransferase PRMT1 Inhibitors
-
Heinke, R.; Spannhoff, A.; Meier, R.; Trojer, P.; Bauer, I.; Jung, M.; Sippl, W., Virtual Screening and Biological Characterization of Novel Histone Arginine Methyltransferase PRMT1 Inhibitors. Chem. Med. Chem., 2009, 4(1), 69-77.
-
(2009)
Chem Med. Chem
, vol.4
, Issue.1
, pp. 69-77
-
-
Heinke, R.1
Spannhoff, A.2
Meier, R.3
Trojer, P.4
Bauer, I.5
Jung, M.6
Sippl, W.7
-
82
-
-
0015959249
-
Inhibition of neuraminidase activity by derivatives of 2-deoxy-2,3- dehydro-N-acetylneuraminic acid
-
Meindl, P.; Bodo, G.; Palese, P.; Schulman, J.; Tuppy, H. Inhibition of neuraminidase activity by derivatives of 2-deoxy-2,3- dehydro-N-acetylneuraminic acid. Virology, 1974, 58(2), 457-63.
-
(1974)
Virology
, vol.58
, Issue.2
, pp. 457-463
-
-
Meindl, P.1
Bodo, G.2
Palese, P.3
Schulman, J.4
Tuppy, H.5
-
83
-
-
0027287506
-
Rational design of potent sialidase-based inhibitors of influenza virus replication
-
von Itzstein, M.; Wu, W.Y.; Kok, G.B.; Pegg, M.S.; Dyason, J.C.; Jin, B.; Van Phan, T.; Smythe, M.L.; White, H.F.; Oliver, S.W.; Colman, P.M.; Varghese, J.N.; Ryan, D.M.; Woods, J.M.; Bethell, R.C.; Hotham, V.J.; Cameron, J.M.; Penn, C.R. Rational design of potent sialidase-based inhibitors of influenza virus replication. Nature, 1993, 363(6428), 418-23.
-
(1993)
Nature
, vol.363
, Issue.6428
, pp. 418-423
-
-
von Itzstein, M.1
Wu, W.Y.2
Kok, G.B.3
Pegg, M.S.4
Dyason, J.C.5
Jin, B.6
Van Phan, T.7
Smythe, M.L.8
White, H.F.9
Oliver, S.W.10
Colman, P.M.11
Varghese, J.N.12
Ryan, D.M.13
Woods, J.M.14
Bethell, R.C.15
Hotham, V.J.16
Cameron, J.M.17
Penn, C.R.18
-
84
-
-
0031048319
-
Influenza neuraminidase inhibitors possessing a novel hydrophobic interaction in the enzyme active- site: Design, synthesis, and structural analysis of carbocyclic sialic acid analogues with potent anti-influenza activity
-
Kim, C.U.; Lew, W.; Williams, M.A.; Liu, H.; Zhang, L.; Swaminathan, S.; Bischofberger, N.; Chen, M.S.; Mendel, D.B.; Tai, C.Y.; Laver, W.G.; Stevens, R.C. Influenza neuraminidase inhibitors possessing a novel hydrophobic interaction in the enzyme active- site: design, synthesis, and structural analysis of carbocyclic sialic acid analogues with potent anti-influenza activity. J. Am. Chem. Soc., 1997, 119(4),681-90.
-
(1997)
J. Am. Chem. Soc
, vol.119
, Issue.4
, pp. 681-690
-
-
Kim, C.U.1
Lew, W.2
Williams, M.A.3
Liu, H.4
Zhang, L.5
Swaminathan, S.6
Bischofberger, N.7
Chen, M.S.8
Mendel, D.B.9
Tai, C.Y.10
Laver, W.G.11
Stevens, R.C.12
-
85
-
-
59749091876
-
CS-8958, a prodrug of the new neuraminidase inhibitor R-125489, shows long-acting anti-influenza virus activity
-
Yamashita, M.; Tomozawa, T.; Kakuta, M.; Tokumitsu, A.; Nasu, H.; Kubo, S. CS-8958, a prodrug of the new neuraminidase inhibitor R-125489, shows long-acting anti-influenza virus activity. Antimicrob. Agents Chemother., 2009, 53(1), 186-92.
-
(2009)
Antimicrob. Agents Chemother
, vol.53
, Issue.1
, pp. 186-192
-
-
Yamashita, M.1
Tomozawa, T.2
Kakuta, M.3
Tokumitsu, A.4
Nasu, H.5
Kubo, S.6
-
86
-
-
0034699492
-
BCX- 1812 (RWJ-270201): Discovery of a novel, highly potent, orally active, and selective influenza neuraminidase inhibitor through structure- based drug design
-
Babu, Y.S.; Chand, P.; Bantia, S.; Kotian, P.; Dehghani, A.; El- Kattan, Y.; Lin, T.H.; Hutchison, T.L.; Elliott, A.J.; Parker, C.D.; Ananth, SL.; Horn, L.L.; Laver, G.W.; Montgomery, J.A., BCX- 1812 (RWJ-270201): discovery of a novel, highly potent, orally active, and selective influenza neuraminidase inhibitor through structure- based drug design. J. Med. Chem., 2000, 43(19), 3482-6.
-
(2000)
J Med. Chem
, vol.43
, Issue.19
, pp. 3482-3486
-
-
Babu, Y.S.1
Chand, P.2
Bantia, S.3
Kotian, P.4
Dehghani, A.5
El-Kattan, Y.6
Lin, T.H.7
Hutchison, T.L.8
Elliott, A.J.9
Parker, C.D.10
Ananth, S.L.11
Horn, L.L.12
Laver, G.W.13
Montgomery, J.A.14
-
87
-
-
37449025042
-
Detection of human influenza A (H1N1) and B strains with reduced sensitivity to neuraminidase inhibitors
-
Escuret, V.; Frobert, E.; Bouscambert-Duchamp, M.; Sabatier, M.; Grog, I.; Valette, M.; Lina, B.; Morfin, F.; Ferraris, O. Detection of human influenza A (H1N1) and B strains with reduced sensitivity to neuraminidase inhibitors. J. Clin. Virol., 2008, 41(1), 25-8.
-
(2008)
J. Clin. Virol
, vol.41
, Issue.1
, pp. 25-28
-
-
Escuret, V.1
Frobert, E.2
Bouscambert-Duchamp, M.3
Sabatier, M.4
Grog, I.5
Valette, M.6
Lina, B.7
Morfin, F.8
Ferraris, O.9
-
88
-
-
37349007892
-
Mutations of neuraminidase implicated in neuraminidase inhibitors resistance
-
Ferraris, O.; Lina, B. Mutations of neuraminidase implicated in neuraminidase inhibitors resistance. J. Clin. Virol., 2008, 41(1), 13- 9.
-
(2008)
J. Clin. Virol
, vol.41
, Issue.1
, pp. 13-19
-
-
Ferraris, O.1
Lina, B.2
-
89
-
-
37549059232
-
Impact of influenza A virus neuraminidase mutations on the stability, activity, and sensibility of the neuraminidase to neuraminidase inhibitors
-
Richard, M.; Deleage, C.; Barthelemy, M.; Lin, Y.P.; Hay, A.; Lina, B.; Ferraris, O. Impact of influenza A virus neuraminidase mutations on the stability, activity, and sensibility of the neuraminidase to neuraminidase inhibitors. J. Clin. Virol., 2008, 41(1), 20-4.
-
(2008)
J. Clin. Virol
, vol.41
, Issue.1
, pp. 20-24
-
-
Richard, M.1
Deleage, C.2
Barthelemy, M.3
Lin, Y.P.4
Hay, A.5
Lina, B.6
Ferraris, O.7
-
90
-
-
46249111790
-
Crystal structures of oseltamivir-resistant influenza virus neuraminidase mutants
-
Collins, P.J.; Haire, L.F.; Lin, Y.P.; Liu, J.; Russell, R.J.; Walker, P.A.; Skehel, J.J.; Martin, S.R.; Hay, A.J.; Gamblin, S.J. Crystal structures of oseltamivir-resistant influenza virus neuraminidase mutants. Nature, 2008, 453(7199), 1258-61.
-
(2008)
Nature
, vol.453
, Issue.7199
, pp. 1258-1261
-
-
Collins, P.J.1
Haire, L.F.2
Lin, Y.P.3
Liu, J.4
Russell, R.J.5
Walker, P.A.6
Skehel, J.J.7
Martin, S.R.8
Hay, A.J.9
Gamblin, S.J.10
-
91
-
-
33748437791
-
The structure of H5N1 avian influenza neuraminidase suggests new opportunities for drug design
-
Russell, R.J.; Haire, L.F.; Stevens, D.J.; Collins, P.J.; Lin, Y.P.; Blackburn, G.M.; Hay, A.J.; Gamblin, S.J.; Skehel, J.J. The structure of H5N1 avian influenza neuraminidase suggests new opportunities for drug design. Nature, 2006, 443(7107), 45-9.
-
(2006)
Nature
, vol.443
, Issue.7107
, pp. 45-49
-
-
Russell, R.J.1
Haire, L.F.2
Stevens, D.J.3
Collins, P.J.4
Lin, Y.P.5
Blackburn, G.M.6
Hay, A.J.7
Gamblin, S.J.8
Skehel, J.J.9
-
92
-
-
79961185765
-
Influenza A virus N5 neuraminidase has an extended 150-cavity
-
Wang, M.; Qi, J.; Liu, Y.; Vavricka, C.J.; Wu, Y.; Li, Q.; Gao, G.F. Influenza A virus N5 neuraminidase has an extended 150-cavity. J. Virol., 2011, 85(16), 8431-5.
-
(2011)
J. Virol
, vol.85
, Issue.16
, pp. 8431-8435
-
-
Wang, M.1
Qi, J.2
Liu, Y.3
Vavricka, C.J.4
Wu, Y.5
Li, Q.6
Gao, G.F.7
-
93
-
-
79960337244
-
Mechanism of 150-cavity formation in influenza neuraminidase
-
Amaro, R.E.; Swift, R.V.; Votapka, L.; Li, W.W.; Walker, R.C.; Bush, R.M. Mechanism of 150-cavity formation in influenza neuraminidase. Nat. Commun., 2011, 2,388.
-
(2011)
Nat. Commun
, vol.2
, pp. 388
-
-
Amaro, R.E.1
Swift, R.V.2
Votapka, L.3
Li, W.W.4
Walker, R.C.5
Bush, R.M.6
-
94
-
-
77957767268
-
The 2009 pandemic H1N1 neuraminidase N1 lacks the 150-cavity in its active-site
-
Li, Q.; Qi, J.; Zhang, W.; Vavricka, C.J.; Shi, Y.; Wei, J.; Feng, E.; Shen, J.; Chen, J.; Liu, D.; He, J.; Yan, J.; Liu, H.; Jiang, H.; Teng, M.; Li, X.; Gao, G. F., The 2009 pandemic H1N1 neuraminidase N1 lacks the 150-cavity in its active-site. Nat. Struct. Mol. Biol., 2010, 17(10), 1266-8.
-
(2010)
Nat. Struct. Mol. Biol
, vol.17
, Issue.10
, pp. 1266-1268
-
-
Li, Q.1
Qi, J.2
Zhang, W.3
Vavricka, C.J.4
Shi, Y.5
Wei, J.6
Feng, E.7
Shen, J.8
Chen, J.9
Liu, D.10
He, J.11
Yan, J.12
Liu, H.13
Jiang, H.14
Teng, M.15
Li, X.16
Gao, G.F.17
-
95
-
-
80053090644
-
Structural and functional analysis of laninamivir and its octanoate prodrug reveals group specific mechanisms for influenza NA inhibition
-
Vavricka, C.J.; Li, Q.; Wu, Y.; Qi, J.; Wang, M.; Liu, Y.; Gao, F.; Liu, J.; Feng, E.; He, J.; Wang, J.; Liu, H.; Jiang, H.; Gao, G. F., Structural and functional analysis of laninamivir and its octanoate prodrug reveals group specific mechanisms for influenza NA inhibition. PLoS Pathog., 2011, 7(10), e1002249.
-
(2011)
PLoS Pathog
, vol.7
, Issue.10
-
-
Vavricka, C.J.1
Li, Q.2
Wu, Y.3
Qi, J.4
Wang, M.5
Liu, Y.6
Gao, F.7
Liu, J.8
Feng, E.9
He, J.10
Wang, J.11
Liu, H.12
Jiang, H.13
Gao, G.F.14
-
96
-
-
34347230817
-
Remarkable loop flexibility in avian influenza N1 and its implications for antiviral drug design
-
Amaro, R.E.; Minh, D.D.; Cheng, L.S.; Lindstrom, W.M., Jr.; Olson, A.J.; Lin, J.H.; Li, W.W.; McCammon, J.A. Remarkable loop flexibility in avian influenza N1 and its implications for antiviral drug design. J. Am. Chem. Soc., 2007, 129(25), 7764-5.
-
(2007)
J. Am. Chem. Soc
, vol.129
, Issue.25
, pp. 7764-7765
-
-
Amaro, R.E.1
Minh, D.D.2
Cheng, L.S.3
Lindstrom, W.M.4
Olson, A.J.5
Lin, J.H.6
Li, W.W.7
McCammon, J.A.8
-
97
-
-
84875440351
-
The influence of 150-cavity binders on the dynamics of influenza A neuraminidases as revealed by molecular dynamics simulations and combined clustering
-
Greenway, K.T.; LeGresley, E.B.; Pinto, B.M. The influence of 150-cavity binders on the dynamics of influenza A neuraminidases as revealed by molecular dynamics simulations and combined clustering. PLoS One, 2013, 8(3), e59873.
-
(2013)
PLoS One
, vol.8
, Issue.3
-
-
Greenway, K.T.1
LeGresley, E.B.2
Pinto, B.M.3
-
98
-
-
78650045655
-
Novel sialic acid derivatives lock open the 150-loop of an influenza A virus group-1 sialidase
-
Rudrawar, S.; Dyason, J.C.; Rameix-Welti, M.A.; Rose, F.J.; Kerry, P.S.; Russell, R.J.M.; van der Werf, S.; Thomson, R. J.; Naffakh, N.; von Itzstein, M. Novel sialic acid derivatives lock open the 150-loop of an influenza A virus group-1 sialidase. Nat Commun., 2010, 1.
-
(2010)
Nat Commun
, pp. 1
-
-
Rudrawar, S.1
Dyason, J.C.2
Rameix-Welti, M.A.3
Rose, F.J.4
Kerry, P.S.5
Russell, R.J.M.6
van der Werf, S.7
Thomson, R.J.8
Naffakh, N.9
von Itzstein, M.10
-
99
-
-
65649103683
-
A novel small-molecule inhibitor of the avian influenza H5N1 virus determined through computational screening against the neuraminidase
-
An, J.; Lee, D.C.; Law, A.H.; Yang, C.L.; Poon, L.L.; Lau, A.S.; Jones, S.J. A novel small-molecule inhibitor of the avian influenza H5N1 virus determined through computational screening against the neuraminidase. J. Med. Chem., 2009, 52(9), 2667-72.
-
(2009)
J. Med. Chem
, vol.52
, Issue.9
, pp. 2667-2672
-
-
An, J.1
Lee, D.C.2
Law, A.H.3
Yang, C.L.4
Poon, L.L.5
Lau, A.S.6
Jones, S.J.7
-
100
-
-
77953138513
-
Analogs of zanamivir with modified C4- substituents as the inhibitors against the group-1 neuraminidases of influenza viruses
-
Wen, W.H.; Wang, S.Y.; Tsai, K.C.; Cheng, Y.S.E.; Yang, A.S.; Fang, J.M.; Wong, C.H. Analogs of zanamivir with modified C4- substituents as the inhibitors against the group-1 neuraminidases of influenza viruses. Bioorg. Med. Chem., 2010, 18(11), 4074-4084.
-
(2010)
Bioorg. Med. Chem
, vol.18
, Issue.11
, pp. 4074-4084
-
-
Wen, W.H.1
Wang, S.Y.2
Tsai, K.C.3
Cheng, Y.S.E.4
Yang, A.S.5
Fang, J.M.6
Wong, C.H.7
-
101
-
-
56449084239
-
Design of multi-binding-site inhibitors, ligand efficiency, and consensus screening of avian influenza H5N1 wild-type neuraminidase and of the oseltamivirresistant H274Y variant
-
Garcia-Sosa, A.T.; Sild, S.; Maran, U. Design of multi-binding-site inhibitors, ligand efficiency, and consensus screening of avian influenza H5N1 wild-type neuraminidase and of the oseltamivirresistant H274Y variant. J. Chem. Inf. Model, 2008, 48(10), 2074- 80.
-
(2008)
J. Chem. Inf. Model
, vol.48
, Issue.10
, pp. 2074-2080
-
-
Garcia-Sosa, A.T.1
Sild, S.2
Maran, U.3
-
102
-
-
70349484061
-
Rational design of Tamiflu derivatives targeting at the open conformation of neuraminidase subtype 1
-
Li, Y.; Zhou, B.; Wang, R. Rational design of Tamiflu derivatives targeting at the open conformation of neuraminidase subtype 1. J. Mol. Graph. Model, 2009, 28(3), 203-19.
-
(2009)
J. Mol. Graph. Model
, vol.28
, Issue.3
, pp. 203-219
-
-
Li, Y.1
Zhou, B.2
Wang, R.3
-
103
-
-
62349104787
-
Design of oseltamivir analogs inhibiting neuraminidase of avian influenza virus H5N1
-
Rungrotmongkol, T.; Frecer, V.; De-Eknamkul, W.; Hannongbua, S.; Miertus, S. Design of oseltamivir analogs inhibiting neuraminidase of avian influenza virus H5N1. Antiviral. Res., 2009, 82(1), 51-58.
-
(2009)
Antiviral. Res
, vol.82
, Issue.1
, pp. 51-58
-
-
Rungrotmongkol, T.1
Frecer, V.2
De-Eknamkul, W.3
Hannongbua, S.4
Miertus, S.5
-
104
-
-
73549091448
-
Computational design of novel, high-affinity neuraminidase inhibitors for H5N1 avian influenza virus
-
Park, J.W.; Jo, W.H. Computational design of novel, high-affinity neuraminidase inhibitors for H5N1 avian influenza virus. Eur. J. Med. Chem. 2010, 45(2), 536-541.
-
(2010)
Eur. J. Med. Chem
, vol.45
, Issue.2
, pp. 536-541
-
-
Park, J.W.1
Jo, W.H.2
-
105
-
-
77957817349
-
Three new powerful oseltamivir derivatives for inhibiting the neuraminidase of influenza virus
-
Wang, S.Q.; Cheng, X.C.; Dong, W.L.; Wang, R.L.; Chou, K.C. Three new powerful oseltamivir derivatives for inhibiting the neuraminidase of influenza virus. Biochem. Biophys. Res. Commun., 2010, 401(2), 188-191.
-
(2010)
Biochem. Biophys. Res. Commun
, vol.401
, Issue.2
, pp. 188-191
-
-
Wang, S.Q.1
Cheng, X.C.2
Dong, W.L.3
Wang, R.L.4
Chou, K.C.5
-
106
-
-
77953258396
-
Potential drug-like inhibitors of Group 1 influenza neuraminidase identified through computeraided drug design
-
Durrant, J.D.; McCammon, J.A. Potential drug-like inhibitors of Group 1 influenza neuraminidase identified through computeraided drug design. Comput. Biol. Chem., 2010, 34(2), 97-105.
-
(2010)
Comput. Biol. Chem
, vol.34
, Issue.2
, pp. 97-105
-
-
Durrant, J.D.1
McCammon, J.A.2
-
107
-
-
77949855256
-
Combinatorial Design of Avian Influenza Neuraminidase Inhibitors Containing Pyrrolidine Core with a Reduced Susceptibility to Viral Drug Resistance
-
Rungrotmongkol, T.; Udommaneethanakit, T.; Frecer, V.; Miertus, S. Combinatorial Design of Avian Influenza Neuraminidase Inhibitors Containing Pyrrolidine Core with a Reduced Susceptibility to Viral Drug Resistance. Comb. Chem. High Throug. Screen, 2010, 13(3), 268-277.
-
(2010)
Comb. Chem. High Throug. Screen
, vol.13
, Issue.3
, pp. 268-277
-
-
Rungrotmongkol, T.1
Udommaneethanakit, T.2
Frecer, V.3
Miertus, S.4
-
108
-
-
84873916093
-
Structure-Based Design and Synthesis of C-1- and C-4-Modified Analogs of Zanamivir as Neuraminidase Inhibitors
-
Feng, E.; Shin, W.J.; Zhu, X.L.; Li, J.; Ye, D.J.; Wang, J.; Zheng, M.Y.; Zuo, J.P.; No, K.T.; Liu, X.; Zhu, W. L.; Tang, W.; Seong, B.L.; Jiang, H. L.; Liu, H. Structure-Based Design and Synthesis of C-1- and C-4-Modified Analogs of Zanamivir as Neuraminidase Inhibitors. J. Med. Chem., 2013, 56(3), 671-684.
-
(2013)
J. Med. Chem
, vol.56
, Issue.3
, pp. 671-684
-
-
Feng, E.1
Shin, W.J.2
Zhu, X.L.3
Li, J.4
Ye, D.J.5
Wang, J.6
Zheng, M.Y.7
Zuo, J.P.8
No, K.T.9
Liu, X.10
Zhu, W.L.11
Tang, W.12
Seong, B.L.13
Jiang, H.L.14
Liu, H.15
-
109
-
-
0026175939
-
Comparison of complete amino acid sequences and receptor- binding properties among 13 serotypes of hemagglutinins of influenza A viruses
-
Nobusawa, E.; Aoyama, T.; Kato, H.; Suzuki, Y.; Tateno, Y.; Nakajima, K. Comparison of complete amino acid sequences and receptor- binding properties among 13 serotypes of hemagglutinins of influenza A viruses. Virology, 1991, 182(2), 475-85.
-
(1991)
Virology
, vol.182
, Issue.2
, pp. 475-485
-
-
Nobusawa, E.1
Aoyama, T.2
Kato, H.3
Suzuki, Y.4
Tateno, Y.5
Nakajima, K.6
-
110
-
-
84872831242
-
Hemagglutinin homologue from H17N10 bat influenza virus exhibits divergent receptorbinding and pH-dependent fusion activities
-
Zhu, X.; Yu, W.; McBride, R.; Li, Y.; Chen, L.M.; Donis, R.O.; Tong, S.; Paulson, J.C.; Wilson, I.A. Hemagglutinin homologue from H17N10 bat influenza virus exhibits divergent receptorbinding and pH-dependent fusion activities. Proc. Natl. Acad. Sci. U S A, 2013, 110(4), 1458-63.
-
(2013)
Proc. Natl. Acad. Sci. U S A
, vol.110
, Issue.4
, pp. 1458-1463
-
-
Zhu, X.1
Yu, W.2
McBride, R.3
Li, Y.4
Chen, L.M.5
Donis, R.O.6
Tong, S.7
Paulson, J.C.8
Wilson, I.A.9
-
111
-
-
17944368500
-
An approach to the identification of potent inhibitors of influ enza virus fusion using parallel synthesis methodology
-
Deshpande, M.S.; Wei, J.; Luo, G.; Cianci, C.; Danetz, S.; Torri, A.; Tiley, L.; Krystal, M.; Yu, K.L.; Huang, S.; Gao, Q.; Meanwell, N.A. An approach to the identification of potent inhibitors of influ enza virus fusion using parallel synthesis methodology. Bioorg Med Chem Lett 2001, 11(17), 2393-6.
-
(2001)
Bioorg Med Chem Lett
, vol.11
, Issue.17
, pp. 2393-2396
-
-
Deshpande, M.S.1
Wei, J.2
Luo, G.3
Cianci, C.4
Danetz, S.5
Torri, A.6
Tiley, L.7
Krystal, M.8
Yu, K.L.9
Huang, S.10
Gao, Q.11
Meanwell, N.A.12
-
112
-
-
0032169618
-
Inhibition of influenza virus hemagglutinin-mediated membrane fusion by a compound related to podocarpic acid
-
Staschke, K.A.; Hatch, S.D.; Tang, J.C.; Hornback, W.J.; Munroe, J.E.; Colacino, J.M.; Muesing, M. A. Inhibition of influenza virus hemagglutinin-mediated membrane fusion by a compound related to podocarpic acid. Virology, 1998, 248 (2), 264-74.
-
(1998)
Virology
, vol.248
, Issue.2
, pp. 264-274
-
-
Staschke, K.A.1
Hatch, S.D.2
Tang, J.C.3
Hornback, W.J.4
Munroe, J.E.5
Colacino, J.M.6
Muesing, M.A.7
-
113
-
-
0035061925
-
Kakigami, T., Synthesis and anti-influenza virus activity of tricyclic compounds with a unique amine moiety
-
Oka, M.; Ishiwata, Y.; Iwata, N.; Honda, N.; Kakigami, T., Synthesis and anti-influenza virus activity of tricyclic compounds with a unique amine moiety. Chem. Pharm. Bull., (Tokyo), 2001, 49 (4), 379-83.
-
(2001)
Chem. Pharm. Bull., (Tokyo)
, vol.49
, Issue.4
, pp. 379-383
-
-
Oka, M.1
Ishiwata, Y.2
Iwata, N.3
Honda, N.4
-
114
-
-
17344371121
-
Inhibition of influenza A virus replication by compounds interfering with the fusogenic function of the viral hemagglutinin
-
Plotch, S.J.; O'Hara, B.; Morin, J.; Palant, O.; LaRocque, J.; Bloom, J.D.; Lang, S.A.J.; DiGrandi, M.J.; Bradley, M.; Nilakantan, R.; Gluzman, Y. Inhibition of influenza A virus replication by compounds interfering with the fusogenic function of the viral hemagglutinin. J. Virol., 1999, 73 (1), 140-51.
-
(1999)
J. Virol
, vol.73
, Issue.1
, pp. 140-151
-
-
Plotch, S.J.1
O'Hara, B.2
Morin, J.3
Palant, O.4
LaRocque, J.5
Bloom, J.D.6
Lang, S.A.J.7
DiGrandi, M.J.8
Bradley, M.9
Nilakantan, R.10
Gluzman, Y.11
-
115
-
-
0028222425
-
Effect of the virostatic Norakin (triperiden) on influenza virus activities
-
Ott, S.; Wunderli-Allenspach, H. Effect of the virostatic Norakin (triperiden) on influenza virus activities. Antiviral Res., 1994, 24 (1), 37-42.
-
(1994)
Antiviral Res
, vol.24
, Issue.1
, pp. 37-42
-
-
Ott, S.1
Wunderli-Allenspach, H.2
-
116
-
-
77954216897
-
Discovery of novel 1-phenylcycloalkane carbamides as potent and selective influenza fusion inhibitors
-
Tang, G.; Qiu, Z.; Lin, X.; Li, W.; Zhu, L.; Li, S.; Li, H.; Wang, L.; Chen, L.; Wu, J. Z.; Yang, W. Discovery of novel 1-phenylcycloalkane carbamides as potent and selective influenza fusion inhibitors. Bioorg. Med. Chem. Lett., 2010, 20(12), 3507-10.
-
(2010)
Bioorg. Med. Chem. Lett
, vol.20
, Issue.12
, pp. 3507-3510
-
-
Tang, G.1
Qiu, Z.2
Lin, X.3
Li, W.4
Zhu, L.5
Li, S.6
Li, H.7
Wang, L.8
Chen, L.9
Wu, J.Z.10
Yang, W.11
-
117
-
-
82455181447
-
Novel inhibitor design for hemagglutinin against H1N1 influenza virus by core hopping method
-
Li, X.B.; Wang, S.Q.; Xu, W.R.; Wang, R.L.; Chou, K.C. Novel inhibitor design for hemagglutinin against H1N1 influenza virus by core hopping method. PLoS One, 2011, 6(11), e28111.
-
(2011)
PLoS One
, vol.6
, Issue.11
-
-
Li, X.B.1
Wang, S.Q.2
Xu, W.R.3
Wang, R.L.4
Chou, K.C.5
-
118
-
-
65549115732
-
Proposed lead molecules against Hemagglutinin of avian influenza virus (H5N1)
-
Nandi, T. Proposed lead molecules against Hemagglutinin of avian influenza virus (H5N1). Bioinformation, 2008, 2 (6), 240-4.
-
(2008)
Bioinformation
, vol.2
, Issue.6
, pp. 240-244
-
-
Nandi, T.1
-
119
-
-
79952209193
-
Screening from the World's Largest TCM Database Against H1N1 Virus
-
Chang, T.T.; Sun, M.F.; Chen, H.Y.; Tsai, F.J.; Fisher, M.; Lin, J.G.; Chen, C.Y.C. Screening from the World's Largest TCM Database Against H1N1 Virus. J.Biomol. Struct. Dyn., 2011, 28 (5), 773-786.
-
(2011)
J.Biomol. Struct. Dyn
, vol.28
, Issue.5
, pp. 773-786
-
-
Chang, T.T.1
Sun, M.F.2
Chen, H.Y.3
Tsai, F.J.4
Fisher, M.5
Lin, J.G.6
Chen, C.Y.C.7
-
120
-
-
84856284567
-
Molecular modeling, docking and dynamics simulations of GNA-related lectins for potential prevention of influenza virus (H1N1)
-
Xu, H.L.; Li, C.Y.; He, X.M.; Niu, K.Q.; Peng, H.; Li, W.W.; Zhou, C.C.; Bao, J.K. Molecular modeling, docking and dynamics simulations of GNA-related lectins for potential prevention of influenza virus (H1N1). J. Mol. Model, 2012, 18 (1), 27-37.
-
(2012)
J. Mol. Model
, vol.18
, Issue.1
, pp. 27-37
-
-
Xu, H.L.1
Li, C.Y.2
He, X.M.3
Niu, K.Q.4
Peng, H.5
Li, W.W.6
Zhou, C.C.7
Bao, J.K.8
-
121
-
-
77957351769
-
A comprehensive surveillance of adamantane resistance among human influenza A virus isolated from mainland China between 1956 and 2009
-
Lan, Y.; Zhang, Y.; Dong, L.; Wang, D.; Huang, W.; Xin, L.; Yang, L.; Zhao, X.; Li, Z.; Wang, W.; Li, X.; Xu, C.; Guo, J.; Wang, M.; Peng, Y.; Gao, Y.; Guo, Y.; Wen, L.; Jiang, T.; Shu, Y. A comprehensive surveillance of adamantane resistance among human influenza A virus isolated from mainland China between 1956 and 2009. Antivir. Ther., 2010, 15 (6), 853-9.
-
(2010)
Antivir. Ther
, vol.15
, Issue.6
, pp. 853-859
-
-
Lan, Y.1
Zhang, Y.2
Dong, L.3
Wang, D.4
Huang, W.5
Xin, L.6
Yang, L.7
Zhao, X.8
Li, Z.9
Wang, W.10
Li, X.11
Xu, C.12
Guo, J.13
Wang, M.14
Peng, Y.15
Gao, Y.16
Guo, Y.17
Wen, L.18
Jiang, T.19
Shu, Y.20
more..
-
122
-
-
56649107869
-
Surveillance of adamantane resistance among influenza A H3 viruses isolated in Argentina between 2001 and 2007
-
Pontoriero, A.; Baumeister, E.; Campos, A.M.; Moreno, A.; Cadario, M.E.; Savy, V. Surveillance of adamantane resistance among influenza A H3 viruses isolated in Argentina between 2001 and 2007. Rev. Argent Microbiol., 2008, 40 (3), 180-4.
-
(2008)
Rev. Argent Microbiol
, vol.40
, Issue.3
, pp. 180-184
-
-
Pontoriero, A.1
Baumeister, E.2
Campos, A.M.3
Moreno, A.4
Cadario, M.E.5
Savy, V.6
-
123
-
-
0029117350
-
Growth impairment resulting from expression of influenza virus M2 protein in Saccharomyces cerevisiae: Identification of a novel inhibitor of influenza virus
-
Kurtz, S.; Luo, G.; Hahnenberger, K.M.; Brooks, C.; Gecha, O.; Ingalls, K.; Numata, K.; Krystal, M. Growth impairment resulting from expression of influenza virus M2 protein in Saccharomyces cerevisiae: identification of a novel inhibitor of influenza virus. Antimicrob. Agents Chemother., 1995, 39 (10), 2204-9.
-
(1995)
Antimicrob. Agents Chemother
, vol.39
, Issue.10
, pp. 2204-2209
-
-
Kurtz, S.1
Luo, G.2
Hahnenberger, K.M.3
Brooks, C.4
Gecha, O.5
Ingalls, K.6
Numata, K.7
Krystal, M.8
-
124
-
-
78650515603
-
Discovery of highly potent agents against influenza A virus
-
Zhao, X.; Li, C.F.; Zeng, S.G.; Hu, W.H. Discovery of highly potent agents against influenza A virus. Eur. J. Med. Chem., 2011, 46 (1), 52-57.
-
(2011)
Eur. J. Med. Chem
, vol.46
, Issue.1
, pp. 52-57
-
-
Zhao, X.1
Li, C.F.2
Zeng, S.G.3
Hu, W.H.4
-
125
-
-
79954623305
-
Exploring the Requirements for the Hydrophobic Scaffold and Polar Amine in Inhibitors of M2 from Influenza A Virus
-
Wang, J.; Ma, C.; Balannik, V.; Pinto, L.H.; Lamb, R.A.; DeGrado, W.F. Exploring the Requirements for the Hydrophobic Scaffold and Polar Amine in Inhibitors of M2 from Influenza A Virus. ACS Med. Chem. Lett., 2011, 2 (4), 307-312.
-
(2011)
ACS Med. Chem. Lett
, vol.2
, Issue.4
, pp. 307-312
-
-
Wang, J.1
Ma, C.2
Balannik, V.3
Pinto, L.H.4
Lamb, R.A.5
DeGrado, W.F.6
-
126
-
-
79955451255
-
Exploring the Size Limit of Templates for Inhibitors of the M2 Ion Channel of Influenza A Virus
-
Duque, M.D.; Ma, C.L.; Torres, E.; Wang, J.; Naesens, L.; Juarez- Jimenez, J.; Camps, P.; Luque, F.J.; DeGrado, W.F.; Lamb, R.A.; Pinto, L.H.; Vazquez, S. Exploring the Size Limit of Templates for Inhibitors of the M2 Ion Channel of Influenza A Virus. J. Med. Chem., 2011, 54 (8), 2646-2657.
-
(2011)
J. Med. Chem
, vol.54
, Issue.8
, pp. 2646-2657
-
-
Duque, M.D.1
Ma, C.L.2
Torres, E.3
Wang, J.4
Naesens, L.5
Juarez-Jimenez, J.6
Camps, P.7
Luque, F.J.8
DeGrado, W.F.9
Lamb, R.A.10
Pinto, L.H.11
Vazquez, S.12
-
127
-
-
67650540781
-
Discovery of Spiro-Piperidine Inhibitors and Their Modulation of the Dynamics of the M2 Proton Channel from Influenza A Virus
-
Wang, J.; Cady, S.D.; Balannik, V.; Pinto, L.H.; DeGrado, W F.; Hong, M. Discovery of Spiro-Piperidine Inhibitors and Their Modulation of the Dynamics of the M2 Proton Channel from Influenza A Virus. J. Am. Chem. Soc., 2009, 131 (23), 8066-8076.
-
(2009)
J. Am. Chem. Soc
, vol.131
, Issue.23
, pp. 8066-8076
-
-
Wang, J.1
Cady, S.D.2
Balannik, V.3
Pinto, L.H.4
DeGrado, W.F.5
Hong, M.6
-
128
-
-
72449187005
-
Design and Pharmacological Characterization of Inhibitors of Amantadine-Resistant Mutants of the M2 Ion Channel of Influenza A Virus
-
Balannik, V.; Wang, J.; Ohigashi, Y.; Jing, X. H.; Magavern, E.; Lamb, R. A.; DeGrado, W. F.; Pinto, L. H. Design and Pharmacological Characterization of Inhibitors of Amantadine-Resistant Mutants of the M2 Ion Channel of Influenza A Virus. Biochemistry, 2009, 48 (50), 11872-11882.
-
(2009)
Biochemistry
, vol.48
, Issue.50
, pp. 11872-11882
-
-
Balannik, V.1
Wang, J.2
Ohigashi, Y.3
Jing, X.H.4
Magavern, E.5
Lamb, R.A.6
DeGrado, W.F.7
Pinto, L.H.8
-
129
-
-
80051595050
-
Molecular dynamics simulation directed rational design of inhibitors targeting drug-resistant mutants of influenza A virus M2
-
Wang, J.; Ma, C.; Fiorin, G.; Carnevale, V.; Wang, T.; Hu, F.; Lamb, R.A.; Pinto, L. H.; Hong, M.; Klein, M.L.; DeGrado, W. F. Molecular dynamics simulation directed rational design of inhibitors targeting drug-resistant mutants of influenza A virus M2. J. Am. Chem. Soc., 2011, 133 (32), 12834-41.
-
(2011)
J. Am. Chem. Soc
, vol.133
, Issue.32
, pp. 12834-12841
-
-
Wang, J.1
Ma, C.2
Fiorin, G.3
Carnevale, V.4
Wang, T.5
Hu, F.6
Lamb, R.A.7
Pinto, L.H.8
Hong, M.9
Klein, M.L.10
DeGrado, W.F.11
-
130
-
-
84555189814
-
Discovery of potential M2 channel inhibitors based on the amantadine scaffold via virtual screening and pharmacophore modeling
-
Tran, L.; Choi, S.B.; Al-Najjar, B.O.; Yusuf, M.; Wahab, H.A.; Le, L. Discovery of potential M2 channel inhibitors based on the amantadine scaffold via virtual screening and pharmacophore modeling. Molecules, 2011, 16 (12), 10227-55.
-
(2011)
Molecules
, vol.16
, Issue.12
, pp. 10227-10255
-
-
Tran, L.1
Choi, S.B.2
Al-Najjar, B.O.3
Yusuf, M.4
Wahab, H.A.5
Le, L.6
-
131
-
-
77952089169
-
Identification of Hits as Matrix-2 Protein Inhibitors through the Focused Screening of a Small Primary Amine Library
-
Hu, W.H.; Zeng, S.G.; Li, C.F.; Jie, Y.L.; Li, Z.Y.; Chen, L. Identification of Hits as Matrix-2 Protein Inhibitors through the Focused Screening of a Small Primary Amine Library. J. Med. Chem. 2010, 53 (9), 3831-3834.
-
(2010)
J. Med. Chem
, vol.53
, Issue.9
, pp. 3831-3834
-
-
Hu, W.H.1
Zeng, S.G.2
Li, C.F.3
Jie, Y.L.4
Li, Z.Y.5
Chen, L.6
-
132
-
-
77749322610
-
Towards an atomic resolution understanding of the influenza virus replication machinery
-
Ruigrok, R.W.; Crepin, T.; Hart, D.J.; Cusack, S. Towards an atomic resolution understanding of the influenza virus replication machinery. Curr. Opin. Struct. Biol., 2010, 20 (1), 104-13.
-
(2010)
Curr. Opin. Struct. Biol
, vol.20
, Issue.1
, pp. 104-113
-
-
Ruigrok, R.W.1
Crepin, T.2
Hart, D.J.3
Cusack, S.4
-
133
-
-
0035033091
-
Three-dimensional reconstruction of a recombinant influenza virus ribonucleoprotein particle
-
Martin-Benito, J.; Area, E.; Ortega, J.; Llorca, O.; Valpuesta, J.M.; Carrascosa, J.L.; Ortin, J. Three-dimensional reconstruction of a recombinant influenza virus ribonucleoprotein particle. EMBO Rep., 2001, 2 (4), 313-7.
-
(2001)
EMBO Rep
, vol.2
, Issue.4
, pp. 313-317
-
-
Martin-Benito, J.1
Area, E.2
Ortega, J.3
Llorca, O.4
Valpuesta, J.M.5
Carrascosa, J.L.6
Ortin, J.7
-
134
-
-
17644443084
-
Ultrastructural and functional analyses of recombinant influenza virus ribonucleoproteins suggest dimerization of nucleoprotein during virus amplification
-
Ortega, J.; Martin-Benito, J.; Zurcher, T.; Valpuesta, J.M.; Carrascosa, J.L.; Ortin, J. Ultrastructural and functional analyses of recombinant influenza virus ribonucleoproteins suggest dimerization of nucleoprotein during virus amplification. J. Virol., 2000, 74 (1), 156-63.
-
(2000)
J. Virol
, vol.74
, Issue.1
, pp. 156-163
-
-
Ortega, J.1
Martin-Benito, J.2
Zurcher, T.3
Valpuesta, J.M.4
Carrascosa, J.L.5
Ortin, J.6
-
135
-
-
77956030336
-
Mutational and metal binding analysis of the endonuclease domain of the influenza virus polymerase PA subunit
-
Crepin, T.; Dias, A.; Palencia, A.; Swale, C.; Cusack, S.; Ruigrok, R.W. Mutational and metal binding analysis of the endonuclease domain of the influenza virus polymerase PA subunit. J. Virol., 2010, 84 (18), 9096-104.
-
(2010)
J. Virol
, vol.84
, Issue.18
, pp. 9096-9104
-
-
Crepin, T.1
Dias, A.2
Palencia, A.3
Swale, C.4
Cusack, S.5
Ruigrok, R.W.6
-
136
-
-
33746815630
-
Amino acid residues in the N-terminal region of the PA subunit of influenza A virus RNA polymerase play a critical role in protein stability, endonuclease activity, cap binding, and virion RNA promoter binding
-
Hara, K.; Schmidt, F.I.; Crow, M.; Brownlee, G.G. Amino acid residues in the N-terminal region of the PA subunit of influenza A virus RNA polymerase play a critical role in protein stability, endonuclease activity, cap binding, and virion RNA promoter binding. J. Virol., 2006, 80 (16), 7789-98.
-
(2006)
J. Virol
, vol.80
, Issue.16
, pp. 7789-7798
-
-
Hara, K.1
Schmidt, F.I.2
Crow, M.3
Brownlee, G.G.4
-
137
-
-
33847624936
-
Structure and nuclear import function of the C-terminal domain of influenza virus polymerase PB2 subunit
-
Tarendeau, F.; Boudet, J.; Guilligay, D.; Mas, P.J.; Bougault, C.M.; Boulo, S.; Baudin, F.; Ruigrok, R.W.; Daigle, N.; Ellenberg, J.; Cusack, S.; Simorre, J.P.; Hart, D.J. Structure and nuclear import function of the C-terminal domain of influenza virus polymerase PB2 subunit. Nat. Struct. Mol. Biol., 2007, 14 (3), 229-33.
-
(2007)
Nat. Struct. Mol. Biol
, vol.14
, Issue.3
, pp. 229-233
-
-
Tarendeau, F.1
Boudet, J.2
Guilligay, D.3
Mas, P.J.4
Bougault, C.M.5
Boulo, S.6
Baudin, F.7
Ruigrok, R.W.8
Daigle, N.9
Ellenberg, J.10
Cusack, S.11
Simorre, J.P.12
Hart, D.J.13
-
138
-
-
84866007816
-
Computational Studies on the Substrate Interactions of Influenza A Virus PB2 Subunit
-
Wang, Y.J.; Wang, J.F.; Ping, J.; Yu, Y.; Wang, Y.; Lian, P.; Li, X.; Li, Y.X.; Hao, P. Computational Studies on the Substrate Interactions of Influenza A Virus PB2 Subunit. PLoS One, 2012, 7 (9), e44079.
-
(2012)
PLoS One
, vol.7
, Issue.9
-
-
Wang, Y.J.1
Wang, J.F.2
Ping, J.3
Yu, Y.4
Wang, Y.5
Lian, P.6
Li, X.7
Li, Y.X.8
Hao, P.9
-
139
-
-
50649089174
-
Crystal structure of the polymerase PA(C)-PB1(N) complex from an avian influenza H5N1 virus
-
He, X.; Zhou, J.; Bartlam, M.; Zhang, R.; Ma, J.; Lou, Z.; Li, X.; Li, J.; Joachimiak, A.; Zeng, Z.; Ge, R.; Rao, Z.; Liu, Y. Crystal structure of the polymerase PA(C)-PB1(N) complex from an avian influenza H5N1 virus. Nature, 2008, 454 (7208), 1123-6.
-
(2008)
Nature
, vol.454
, Issue.7208
, pp. 1123-1126
-
-
He, X.1
Zhou, J.2
Bartlam, M.3
Zhang, R.4
Ma, J.5
Lou, Z.6
Li, X.7
Li, J.8
Joachimiak, A.9
Zeng, Z.10
Ge, R.11
Rao, Z.12
Liu, Y.13
-
140
-
-
50649122962
-
The structural basis for an essential subunit interaction in influenza virus RNA polymerase
-
Obayashi, E.; Yoshida, H.; Kawai, F.; Shibayama, N.; Kawaguchi, A.; Nagata, K.; Tame, J.R.; Park, S.Y. The structural basis for an essential subunit interaction in influenza virus RNA polymerase. Nature, 2008, 454 (7208), 1127-31.
-
(2008)
Nature
, vol.454
, Issue.7208
, pp. 1127-1131
-
-
Obayashi, E.1
Yoshida, H.2
Kawai, F.3
Shibayama, N.4
Kawaguchi, A.5
Nagata, K.6
Tame, J.R.7
Park, S.Y.8
-
141
-
-
34447263302
-
Peptide-mediated interference with influenza A virus polymerase
-
Ghanem, A.; Mayer, D.; Chase, G.; Tegge, W.; Frank, R.; Kochs, G.; Garcia-Sastre, A.; Schwemmle, M. Peptide-mediated interference with influenza A virus polymerase. J. Virol., 2007, 81 (14), 7801-4.
-
(2007)
J. Virol
, vol.81
, Issue.14
, pp. 7801-7804
-
-
Ghanem, A.1
Mayer, D.2
Chase, G.3
Tegge, W.4
Frank, R.5
Kochs, G.6
Garcia-Sastre, A.7
Schwemmle, M.8
-
142
-
-
84859986406
-
Small molecule inhibitors of influenza A and B viruses that act by disrupting subunit interactions of the viral polymerase
-
Muratore, G.; Goracci, L.; Mercorelli, B.; Foeglein, A.; Digard, P.; Cruciani, G.; Palu, G.; Loregian, A. Small molecule inhibitors of influenza A and B viruses that act by disrupting subunit interactions of the viral polymerase. Proc. Natl. Acad. Sci. U S A, 2012, 109 (16), 6247-52.
-
(2012)
Proc. Natl. Acad. Sci. U S A
, vol.109
, Issue.16
, pp. 6247-6252
-
-
Muratore, G.1
Goracci, L.2
Mercorelli, B.3
Foeglein, A.4
Digard, P.5
Cruciani, G.6
Palu, G.7
Loregian, A.8
-
143
-
-
84863102609
-
Identification of a novel compound with antiviral activity against influenza A virus depending on PA subunit of viral RNA polymerase
-
Yamada, K.; Koyama, H.; Hagiwara, K.; Ueda, A.; Sasaki, Y.; Kanesashi, S. N.; Ueno, R.; Nakamura, H. K.; Kuwata, K.; Shimizu, K.; Suzuki, M.; Aida, Y. Identification of a novel compound with antiviral activity against influenza A virus depending on PA subunit of viral RNA polymerase. Microbes. Infect., 2012, 14 (9), 740-7.
-
(2012)
Microbes. Infect
, vol.14
, Issue.9
, pp. 740-747
-
-
Yamada, K.1
Koyama, H.2
Hagiwara, K.3
Ueda, A.4
Sasaki, Y.5
Kanesashi, S.N.6
Ueno, R.7
Nakamura, H.K.8
Kuwata, K.9
Shimizu, K.10
Suzuki, M.11
Aida, Y.12
-
144
-
-
83455195630
-
Structure-based discovery of antiinfluenza virus A compounds among medicines
-
Fukuoka, M.; Minakuchi, M.; Kawaguchi, A.; Nagata, K.; Kamatari, Y.O.; Kuwata, K. Structure-based discovery of antiinfluenza virus A compounds among medicines. Biochimica. Et. Biophysica. Acta-General Sub., 2012, 1820 (2), 90-95.
-
(2012)
Biochimica. Et. Biophysica. Acta-General Sub
, vol.1820
, Issue.2
, pp. 90-95
-
-
Fukuoka, M.1
Minakuchi, M.2
Kawaguchi, A.3
Nagata, K.4
Kamatari, Y.O.5
Kuwata, K.6
-
145
-
-
0028171260
-
Inhibition of cap (m7GpppXm)-dependent endonuclease of influenza virus by 4-substituted 2,4-dioxobutanoic acid compounds
-
Tomassini, J.; Selnick, H.; Davies, M.E.; Armstrong, M.E.; Baldwin, J.; Bourgeois, M.; Hastings, J.; Hazuda, D.; Lewis, J.; McClements, W. Inhibition of cap (m7GpppXm)-dependent endonuclease of influenza virus by 4-substituted 2,4-dioxobutanoic acid compounds. Antimicrob. Agents Chemother., 1994, 38 (12), 2827- 37.
-
(1994)
Antimicrob. Agents Chemother
, vol.38
, Issue.12
, pp. 2827-2837
-
-
Tomassini, J.1
Selnick, H.2
Davies, M.E.3
Armstrong, M.E.4
Baldwin, J.5
Bourgeois, M.6
Hastings, J.7
Hazuda, D.8
Lewis, J.9
McClements, W.10
-
146
-
-
0030007129
-
Antiinfluenza virus activities of 4-substituted 2,4-dioxobutanoic acid inhibitors
-
Hastings, J.C.; Selnick, H.; Wolanski, B.; Tomassini, J.E. Antiinfluenza virus activities of 4-substituted 2,4-dioxobutanoic acid inhibitors. Antimicrob. Agents Chemother., 1996, 40 (5), 1304-7.
-
(1996)
Antimicrob. Agents Chemother
, vol.40
, Issue.5
, pp. 1304-1307
-
-
Hastings, J.C.1
Selnick, H.2
Wolanski, B.3
Tomassini, J.E.4
-
147
-
-
0029800910
-
Identification of N-hydroxamic acid and N-hydroxyimide compounds that inhibit the influenza virus polymerase
-
Cianci, C.; Chung, T.D.Y.; Meanwell, N.; Putz, H.; Hagen, M.; Colonno, R.J.; Krystal, M. Identification of N-hydroxamic acid and N-hydroxyimide compounds that inhibit the influenza virus polymerase. Antivir. Chem. Chemother., 1996, 7 (6), 353-360.
-
(1996)
Antivir. Chem. Chemother
, vol.7
, Issue.6
, pp. 353-360
-
-
Cianci, C.1
Chung, T.D.Y.2
Meanwell, N.3
Putz, H.4
Hagen, M.5
Colonno, R.J.6
Krystal, M.7
-
148
-
-
0344453794
-
Use of a pharmacophore model to discover a new class of influenza endonuclease inhibitors
-
Parkes, K. E.; Ermert, P.; Fassler, J.; Ives, J.; Martin, J. A.; Merrett, J. H.; Obrecht, D.; Williams, G.; Klumpp, K. Use of a pharmacophore model to discover a new class of influenza endonuclease inhibitors. J. Med. Chem., 2003, 46 (7), 1153-64.
-
(2003)
J. Med. Chem
, vol.46
, Issue.7
, pp. 1153-1164
-
-
Parkes, K.E.1
Ermert, P.2
Fassler, J.3
Ives, J.4
Martin, J.A.5
Merrett, J.H.6
Obrecht, D.7
Williams, G.8
Klumpp, K.9
-
149
-
-
84872730845
-
Novel epigallocatechin gallate analogs as potential anticancer agents: A patent review (2009 - present)
-
Landis-Piwowar, K.; Chen, D.; Foldes, R.; Chan, T. H.; Dou, Q. P. Novel epigallocatechin gallate analogs as potential anticancer agents: a patent review (2009 - present). Exp. Opin. Ther. Pat., 2013, 23 (2), 189-20.
-
(2013)
Exp. Opin. Ther. Pat
, vol.23
, Issue.2
, pp. 189
-
-
Landis-Piwowar, K.1
Chen, D.2
Foldes, R.3
Chan, T.H.4
Dou, Q.P.5
-
150
-
-
34447281076
-
Tea catechins as a potential alternative anti-infectious agent
-
Song, J.M.; Seong, B.L. Tea catechins as a potential alternative anti-infectious agent. Exp. Rev. Anti Infect. Ther., 2007, 5 (3), 497- 506.
-
(2007)
Exp. Rev. Anti Infect. Ther
, vol.5
, Issue.3
, pp. 497-506
-
-
Song, J.M.1
Seong, B.L.2
-
151
-
-
33847401359
-
Surolia, A., Green tea catechins potentiate triclosan binding to enoyl-ACP reductase from Plasmodium falciparum (PfENR)
-
Sharma, S.K.; Parasuraman, P.; Kumar, G.; Surolia, N.; Surolia, A., Green tea catechins potentiate triclosan binding to enoyl-ACP reductase from Plasmodium falciparum (PfENR). J. Med. Chem., 2007, 50 (4), 765-75.
-
(2007)
J. Med. Chem
, vol.50
, Issue.4
, pp. 765-775
-
-
Sharma, S.K.1
Parasuraman, P.2
Kumar, G.3
Surolia, N.4
-
152
-
-
39149099113
-
Combined effect of epigallocatechin gallate and triclosan on enoyl-ACP reductase of Mycobacterium tuberculosis
-
Sharma, S.K.; Kumar, G.; Kapoor, M.; Surolia, A. Combined effect of epigallocatechin gallate and triclosan on enoyl-ACP reductase of Mycobacterium tuberculosis. Biochem. Biophys. Res. Commun., 2008, 368 (1), 12-7.
-
(2008)
Biochem. Biophys. Res. Commun
, vol.368
, Issue.1
, pp. 12-17
-
-
Sharma, S.K.1
Kumar, G.2
Kapoor, M.3
Surolia, A.4
-
153
-
-
83755177949
-
Green tea catechins inhibit the endonuclease activity of influenza A virus RNA polymerase
-
Kuzuhara, T.; Iwai, Y.; Takahashi, H.; Hatakeyama, D.; Echigo, N. Green tea catechins inhibit the endonuclease activity of influenza A virus RNA polymerase. PLoS Curr., 2009, 1, RRN1052.
-
(2009)
PLoS Curr
, vol.1
, pp. 1052
-
-
Kuzuhara, T.1
Iwai, Y.2
Takahashi, H.3
Hatakeyama, D.4
Echigo, N.5
-
154
-
-
79956311497
-
Anti-influenza activity of marchantins, macrocyclic bisbibenzyls contained in liverworts
-
Iwai, Y.; Murakami, K.; Gomi, Y.; Hashimoto, T.; Asakawa, Y.; Okuno, Y.; Ishikawa, T.; Hatakeyama, D.; Echigo, N.; Kuzuhara, T. Anti-influenza activity of marchantins, macrocyclic bisbibenzyls contained in liverworts. PLoS One, 2011, 6 (5), e19825.
-
(2011)
PLoS One
, vol.6
, Issue.5
-
-
Iwai, Y.1
Murakami, K.2
Gomi, Y.3
Hashimoto, T.4
Asakawa, Y.5
Okuno, Y.6
Ishikawa, T.7
Hatakeyama, D.8
Echigo, N.9
Kuzuhara, T.10
-
155
-
-
80053146472
-
Plant polyphenolic compounds as potential antimicrobial drugs
-
Chirumbolo, S. Plant polyphenolic compounds as potential antimicrobial drugs. J. Med. Microbiol., 2011, 60 (10), 1562-1563.
-
(2011)
J. Med. Microbiol
, vol.60
, Issue.10
, pp. 1562-1563
-
-
Chirumbolo, S.1
-
156
-
-
84858635392
-
Identification of influenza endonuclease inhibitors using a novel fluorescence polarization assay
-
Baughman, B.M.; Jake Slavish, P.; DuBois, R.M.; Boyd, V.A.; White, S.W.; Webb, T.R. Identification of influenza endonuclease inhibitors using a novel fluorescence polarization assay. ACS Chem. Biol., 2012, 7 (3), 526-34.
-
(2012)
ACS Chem. Biol
, vol.7
, Issue.3
, pp. 526-534
-
-
Baughman, B.M.1
Jake Slavish, P.2
DuBois, R.M.3
Boyd, V.A.4
White, S.W.5
Webb, T.R.6
-
157
-
-
0033608967
-
Metal ion catalysis of RNA cleavage by the influenza virus endonuclease
-
Doan, L.; Handa, B.; Roberts, N.A.; Klumpp, K. Metal ion catalysis of RNA cleavage by the influenza virus endonuclease. Biochemistry, 1999, 38 (17), 5612-9.
-
(1999)
Biochemistry
, vol.38
, Issue.17
, pp. 5612-5619
-
-
Doan, L.1
Handa, B.2
Roberts, N.A.3
Klumpp, K.4
-
158
-
-
0037076324
-
Diketo acid inhibitor mechanism and HIV-1 integrase: Implications for metal binding in the active-site of phosphotransferase enzymes
-
Grobler, J.A.; Stillmock, K.; Hu, B.; Witmer, M.; Felock, P.; Espeseth, A.S.; Wolfe, A.; Egbertson, M.; Bourgeois, M.; Melamed, J.; Wai, J.S.; Young, S.; Vacca, J.; Hazuda, D.J. Diketo acid inhibitor mechanism and HIV-1 integrase: implications for metal binding in the active-site of phosphotransferase enzymes. Proc. Natl. Acad. Sci. U S A, 2002, 99 (10), 6661-6.
-
(2002)
Proc. Natl. Acad. Sci. U S A
, vol.99
, Issue.10
, pp. 6661-6666
-
-
Grobler, J.A.1
Stillmock, K.2
Hu, B.3
Witmer, M.4
Felock, P.5
Espeseth, A.S.6
Wolfe, A.7
Egbertson, M.8
Bourgeois, M.9
Melamed, J.10
Wai, J.S.11
Young, S.12
Vacca, J.13
Hazuda, D.J.14
-
159
-
-
52449097240
-
Discovery of raltegravir, a potent, selective orally bioavailable HIV-integrase inhibitor for the treatment of HIV-AIDS infection
-
Summa, V.; Petrocchi, A.; Bonelli, F.; Crescenzi, B.; Donghi, M.; Ferrara, M.; Fiore, F.; Gardelli, C.; Gonzalez Paz, O.; Hazuda, D.J.; Jones, P.; Kinzel, O.; Laufer, R.; Monteagudo, E.; Muraglia, E.; Nizi, E.; Orvieto, F.; Pace, P.; Pescatore, G.; Scarpelli, R.; Stillmock, K.; Witmer, M.V.; Rowley, M. Discovery of raltegravir, a potent, selective orally bioavailable HIV-integrase inhibitor for the treatment of HIV-AIDS infection. J. Med. Chem., 2008, 51 (18), 5843-55.
-
(2008)
J. Med. Chem
, vol.51
, Issue.18
, pp. 5843-5855
-
-
Summa, V.1
Petrocchi, A.2
Bonelli, F.3
Crescenzi, B.4
Donghi, M.5
Ferrara, M.6
Fiore, F.7
Gardelli, C.8
Gonzalez Paz, O.9
Hazuda, D.J.10
Jones, P.11
Kinzel, O.12
Laufer, R.13
Monteagudo, E.14
Muraglia, E.15
Nizi, E.16
Orvieto, F.17
Pace, P.18
Pescatore, G.19
Scarpelli, R.20
Stillmock, K.21
Witmer, M.V.22
Rowley, M.23
more..
-
160
-
-
33747818007
-
CASTp: Computed atlas of surface topography of proteins with structural and topographical mapping of functionally annotated residues
-
Web Server issue
-
Dundas, J.; Ouyang, Z.; Tseng, J.; Binkowski, A.; Turpaz, Y.; Liang, J. CASTp: computed atlas of surface topography of proteins with structural and topographical mapping of functionally annotated residues. Nucleic. Acids Res., 2006, 34 (Web Server issue), W116-8.
-
(2006)
Nucleic. Acids Res
, vol.34
, pp. W116-W118
-
-
Dundas, J.1
Ouyang, Z.2
Tseng, J.3
Binkowski, A.4
Turpaz, Y.5
Liang, J.6
-
161
-
-
0031687653
-
Anatomy of protein pockets and cavities: Measurement of binding site geometry and implications for ligand design
-
Liang, J.; Edelsbrunner, H.; Woodward, C. Anatomy of protein pockets and cavities: measurement of binding site geometry and implications for ligand design. Pro. Sci., 1998, 7 (9), 1884-97.
-
(1998)
Pro. Sci
, vol.7
, Issue.9
, pp. 1884-1897
-
-
Liang, J.1
Edelsbrunner, H.2
Woodward, C.3
-
162
-
-
79958093841
-
Relative solvent accessible surface area predicts protein conformational changes upon binding
-
Marsh, J.A.; Teichmann, S.A. Relative solvent accessible surface area predicts protein conformational changes upon binding. Structure, 2011, 19 (6), 859-67.
-
(2011)
Structure
, vol.19
, Issue.6
, pp. 859-867
-
-
Marsh, J.A.1
Teichmann, S.A.2
-
163
-
-
41049091170
-
PA subunit of RNA polymerase as a promising target for anti-influenza virus agents
-
Nakazawa, M.; Kadowaki, S.E.; Watanabe, I.; Kadowaki, Y.; Takei, M.; Fukuda, H. PA subunit of RNA polymerase as a promising target for anti-influenza virus agents. Antiviral Res., 2008, 78 (3), 194-201.
-
(2008)
Antiviral Res
, vol.78
, Issue.3
, pp. 194-201
-
-
Nakazawa, M.1
Kadowaki, S.E.2
Watanabe, I.3
Kadowaki, Y.4
Takei, M.5
Fukuda, H.6
-
164
-
-
84884683675
-
Mutational analysis of the binding pockets of the diketo acid inhibitor L-742,001 in the influenza virus PA endonuclease
-
Stevaert, A.; Dallocchio, R.; Dessi, A.; Pala, N.; Rogolino, D.; Sechi, M.; Naesens, L. Mutational analysis of the binding pockets of the diketo acid inhibitor L-742,001 in the influenza virus PA endonuclease. J. Virol., 2013.
-
(2013)
J. Virol
-
-
Stevaert, A.1
Dallocchio, R.2
Dessi, A.3
Pala, N.4
Rogolino, D.5
Sechi, M.6
Naesens, L.7
-
165
-
-
59749105286
-
Variety of antiprion compounds discovered through an in silico screen based on cellular-form prion protein structure: Correlation between antiprion activity and binding affinity
-
Hosokawa-Muto, J.; Kamatari, Y.O.; Nakamura, H.K.; Kuwata, K. Variety of antiprion compounds discovered through an in silico screen based on cellular-form prion protein structure: Correlation between antiprion activity and binding affinity. Antimicrob. Agents Chemother., 2009, 53 (2), 765-71.
-
(2009)
Antimicrob. Agents Chemother
, vol.53
, Issue.2
, pp. 765-771
-
-
Hosokawa-Muto, J.1
Kamatari, Y.O.2
Nakamura, H.K.3
Kuwata, K.4
-
166
-
-
70350495649
-
Enhanced HTS hit selection via a local hit rate analysis
-
Posner, B.A.; Xi, H.; Mills, J.E. Enhanced HTS hit selection via a local hit rate analysis. J. Chem. Inf. Model, 2009, 49 (10), 2202-10.
-
(2009)
J. Chem. Inf. Model
, vol.49
, Issue.10
, pp. 2202-2210
-
-
Posner, B.A.1
Xi, H.2
Mills, J.E.3
-
167
-
-
77955316016
-
An integrative in silico methodology for the identification of modulators of macrophage migration inhibitory factor (MIF) tautomerase activity
-
El Turk, F.; Fauvet, B.; Ouertatani-Sakouhi, H.; Lugari, A.; Betzi, S.; Roche, P.; Morelli, X.; Lashuel, H.A. An integrative in silico methodology for the identification of modulators of macrophage migration inhibitory factor (MIF) tautomerase activity. Bioorg. Med. Chem., 2010, 18 (14), 5425-40.
-
(2010)
Bioorg. Med. Chem
, vol.18
, Issue.14
, pp. 5425-5440
-
-
El Turk, F.1
Fauvet, B.2
Ouertatani-Sakouhi, H.3
Lugari, A.4
Betzi, S.5
Roche, P.6
Morelli, X.7
Lashuel, H.A.8
-
168
-
-
78651264296
-
Small molecule correctors of F508del-CFTR discovered by structure-based virtual screening
-
Kalid, O.; Mense, M.; Fischman, S.; Shitrit, A.; Bihler, H.; Ben- Zeev, E.; Schutz, N.; Pedemonte, N.; Thomas, P. J.; Bridges, R. J.; Wetmore, D. R.; Marantz, Y.; Senderowitz, H. Small molecule correctors of F508del-CFTR discovered by structure-based virtual screening. J. Comput. Aided Mol. Des., 2010, 24 (12), 971-91.
-
(2010)
J. Comput. Aided Mol. Des
, vol.24
, Issue.12
, pp. 971-991
-
-
Kalid, O.1
Mense, M.2
Fischman, S.3
Shitrit, A.4
Bihler, H.5
Ben-Zeev, E.6
Schutz, N.7
Pedemonte, N.8
Thomas, P.J.9
Bridges, R.J.10
Wetmore, D.R.11
Marantz, Y.12
Senderowitz, H.13
-
169
-
-
65349195698
-
Molecular docking and ligand specificity in fragment-based inhibitor discovery
-
Chen, Y.; Shoichet, B.K. Molecular docking and ligand specificity in fragment-based inhibitor discovery. Nat. Chem. Biol., 2009, 5 (5), 358-64.
-
(2009)
Nat. Chem. Biol
, vol.5
, Issue.5
, pp. 358-364
-
-
Chen, Y.1
Shoichet, B.K.2
-
170
-
-
84860157502
-
Combining Molecular Docking and Molecular Dynamics to Predict the Binding Modes of Flavonoid Derivatives with the Neuraminidase of the 2009 H1N1 Influenza A Virus
-
Lu, S. J.; Chong, F. C. Combining Molecular Docking and Molecular Dynamics to Predict the Binding Modes of Flavonoid Derivatives with the Neuraminidase of the 2009 H1N1 Influenza A Virus. Int. J. Mol. Sci., 2012, 13 (4), 4496-507.
-
(2012)
Int. J. Mol. Sci
, vol.13
, Issue.4
, pp. 4496-4507
-
-
Lu, S.J.1
Chong, F.C.2
-
171
-
-
84864677874
-
Computational study on new natural polycyclic compounds of H1N1 influenza virus neuraminidase
-
Wang, Y.; Wu, D.; Yu, D.; Wang, Z.; Tian, L.; Han, W.; Fang, X. Computational study on new natural polycyclic compounds of H1N1 influenza virus neuraminidase. J. Mol. Model., 2012, 18 (8), 3445-53.
-
(2012)
J. Mol. Model
, vol.18
, Issue.8
, pp. 3445-3453
-
-
Wang, Y.1
Wu, D.2
Yu, D.3
Wang, Z.4
Tian, L.5
Han, W.6
Fang, X.7
-
172
-
-
84862800270
-
Docking and 3D-QSAR investigations of pyrrolidine derivatives as potent neuraminidase inhibitors
-
Sun, J.; Mei, H. Docking and 3D-QSAR investigations of pyrrolidine derivatives as potent neuraminidase inhibitors. Chem. Biol. Drug Des., 2012, 79 (5), 863-8.
-
(2012)
Chem. Biol. Drug Des
, vol.79
, Issue.5
, pp. 863-868
-
-
Sun, J.1
Mei, H.2
-
173
-
-
78650686774
-
Top leads for swine influenza A/H1N1 virus revealed by steered molecular dynamics approach
-
Mai, B.K.; Viet, M.H.; Li, M.S. Top leads for swine influenza A/H1N1 virus revealed by steered molecular dynamics approach. J. Chem. Inf. Model, 2010, 50 (12), 2236-47.
-
(2010)
J. Chem. Inf. Model
, vol.50
, Issue.12
, pp. 2236-2247
-
-
Mai, B.K.1
Viet, M.H.2
Li, M.S.3
-
174
-
-
83455195630
-
Structure-based discovery of antiinfluenza virus A compounds among medicines
-
Fukuoka, M.; Minakuchi, M.; Kawaguchi, A.; Nagata, K.; Kamatari, Y.O.; Kuwata, K. Structure-based discovery of antiinfluenza virus A compounds among medicines. Biochim. Biophys. Acta, 2012, 1820 (2), 90-5.
-
(2012)
Biochim. Biophys. Acta
, vol.1820
, Issue.2
, pp. 90-95
-
-
Fukuoka, M.1
Minakuchi, M.2
Kawaguchi, A.3
Nagata, K.4
Kamatari, Y.O.5
Kuwata, K.6
-
175
-
-
79957600138
-
Screening from the world's largest TCM database for inhibiting DNA repair protein XRCC4
-
Chang, T.T.; Sun, M.F.; Chang, K.W.; Chen, H.Y.; Tsai, F.J.; Fisher, M.; Lin, J.G.; Chen, C.Y.C. Screening from the world's largest TCM database for inhibiting DNA repair protein XRCC4. Mol. Simulat., 2011, 37 (6), 503-509.
-
(2011)
Mol. Simulat
, vol.37
, Issue.6
, pp. 503-509
-
-
Chang, T.T.1
Sun, M.F.2
Chang, K.W.3
Chen, H.Y.4
Tsai, F.J.5
Fisher, M.6
Lin, J.G.7
Chen, C.Y.C.8
|