-
1
-
-
34548422845
-
Control of neglected tropical diseases
-
DOI 10.1056/NEJMra064142
-
Hotez P, Molyneux DH, Fenwick A et al. Control of neglected tropical diseases. N. Engl. J. Med. 357(10), 1018-1027 (2007). (Pubitemid 47367081)
-
(2007)
New England Journal of Medicine
, vol.357
, Issue.10
, pp. 1018-1027
-
-
Hotez, P.J.1
Molyneux, D.H.2
Fenwick, A.3
Kumaresan, J.4
Sachs, S.E.5
Sachs, J.D.6
Savioli, L.7
-
2
-
-
34548636054
-
The path to new medicines
-
DOI 10.1038/449164a, PII 449164A
-
Callan B, Gillespie I. The path to new medicines. Nature 449(7159), 164-165 (2007). (Pubitemid 47402354)
-
(2007)
Nature
, vol.449
, Issue.7159
, pp. 164-165
-
-
Callan, B.1
Gillespie, I.2
-
3
-
-
84864116400
-
The role of academic institutions in the development of drugs for rare and neglected diseases
-
Coles LD, Cloyd JC The role of academic institutions in the development of drugs for rare and neglected diseases. Clin. Pharmacol. Ther. 92(2), 193-202 (2012).
-
(2012)
Clin. Pharmacol. Ther.
, vol.92
, Issue.2
, pp. 193-202
-
-
Coles, L.D.1
Cloyd, J.C.2
-
4
-
-
77953094699
-
The role of product development partnerships in research and development for neglected diseases
-
Moran M, Guzman J, Ropars A.L., Illmer A. The role of product development partnerships in research and development for neglected diseases. Int. Health 2(2), 114-122 (2010).
-
(2010)
Int. Health
, vol.2
, Issue.2
, pp. 114-122
-
-
Moran, M.1
Guzman, J.2
Ropars, A.L.3
Illmer, A.4
-
5
-
-
77950824213
-
Chagas disease
-
Rassi A, Marin-Neto JA.Chagas disease. Lancet 375(9723), 1388-1402 (2010).
-
(2010)
Lancet
, vol.375
, Issue.9723
, pp. 1388-1402
-
-
Rassi, A.1
Marin-Neto, J.A.2
-
6
-
-
70449566766
-
Feasibility, drug safety, and effectiveness of etiological treatment programs for chagas disease in Honduras, guatemala, and bolivia: 10-year experience of médecins sans frontières
-
Yun O, Lima MA, Ellman T et al. Feasibility, drug safety, and effectiveness of etiological treatment programs for Chagas disease in Honduras, Guatemala, and Bolivia: 10-year experience of Médecins Sans Frontières. PLoS Neglect. Trop. Dis. 3(7), e488 (2009).
-
(2009)
PLoS Neglect. Trop. Dis.
, vol.3
, Issue.7
-
-
Yun, O.1
Lima, M.A.2
Ellman, T.3
-
7
-
-
0002921521
-
Nova tripanossomíase humana. Estudos sobre a morfologia e o ciclo evolutivo do Schizotrypanum cruzi n. gen., n. sp., agente etiológico de nova entidade mórbida do homem
-
Chagas C. Nova tripanossomíase humana. Estudos sobre a morfologia e o ciclo evolutivo do Schizotrypanum cruzi n. gen., n. sp., agente etiológico de nova entidade mórbida do homem. Mem. Inst. Oswaldo Cruz. 1(2), 159-218 (1909).
-
(1909)
Mem. Inst. Oswaldo Cruz
, vol.1
, Issue.2
, pp. 159-218
-
-
Chagas, C.1
-
8
-
-
34248375271
-
An insight on targets and patented drugs for chemotherapy of chagas disease
-
Duschak VG, Couto AS An insight on targets and patented drugs for chemotherapy of Chagas disease. Recent Pat. Antiinfect. Drug Discov. 2(1), 19-51 (2007). (Pubitemid 46729086)
-
(2007)
Recent Patents on Anti-Infective Drug Discovery
, vol.2
, Issue.1
, pp. 19-51
-
-
Duschak, V.G.1
Couto, A.S.2
-
9
-
-
77953082627
-
Specific chemotherapy of chagas disease: Relevance, current limitations and new approaches
-
Urbina JA. Specific chemotherapy of Chagas disease: relevance, current limitations and new approaches. Acta Trop. 115(1-2), 55-68 (2010).
-
(2010)
Acta Trop.
, vol.115
, Issue.1-2
, pp. 55-68
-
-
Urbina, J.A.1
-
10
-
-
73449123081
-
Structure-based drug discovery for tropical diseases
-
Guido RVC, Oliva G. Structure-based drug discovery for tropical diseases. Curr. Top. Med. Chem. 9(9), 824-843 (2009).
-
(2009)
Curr. Top. Med. Chem
, vol.9
, Issue.9
, pp. 824-843
-
-
Guido, R.V.C.1
Oliva, G.2
-
11
-
-
0035062226
-
Glycolysis as a target for the design of new anti-trypanosome drugs
-
DOI 10.1054/drup.2000.0177
-
Verlinde CL, Hannaert V, Blonski C et al. Glycolysis as a target for the design of new anti-trypanosome drugs. Drug Resist. Update. 4(1), 50-65 (2001). (Pubitemid 32267825)
-
(2001)
Drug Resistance Updates
, vol.4
, Issue.1
, pp. 50-65
-
-
Verlinde, C.L.M.J.1
Hannaert, V.2
Blonski, C.3
Willson, M.4
Perie, J.J.5
Fothergill-Gilmore, L.A.6
Opperdoes, F.R.7
Gelb, M.H.8
Hol, W.G.J.9
Michels, P.A.M.10
-
12
-
-
71549138698
-
Genetic validation of aldolase and glyceraldehyde-3-phosphate dehydrogenase as drug targets in trypanosoma brucei
-
Cáceres A.J., Michels PAM, Hannaert V. Genetic validation of aldolase and glyceraldehyde-3-phosphate dehydrogenase as drug targets in Trypanosoma brucei. Mol. Biochem. Parasitol. 169(1), 50-54 (2010).
-
(2010)
Mol. Biochem. Parasitol.
, vol.169
, Issue.1
, pp. 50-54
-
-
Cáceres, A.J.1
Michels, P.A.M.2
Hannaert, V.3
-
13
-
-
80054923170
-
Modern drug discovery technologies: Opportunities and challenges in lead discovery
-
Guido RVC, Oliva G, Andricopulo AD Modern drug discovery technologies: opportunities and challenges in lead discovery. Comb. Chem. High Throughput Screen 14(10), 830-839 (2011).
-
(2011)
Comb. Chem. High Throughput Screen
, vol.14
, Issue.10
, pp. 830-839
-
-
Guido, R.V.C.1
Oliva, G.2
Andricopulo, A.D.3
-
14
-
-
84865370542
-
Structure- and ligand-based drug design approaches for neglected tropical diseases
-
Guido RVC, Oliva G, Andricopulo AD Structure- and ligand-based drug design approaches for neglected tropical diseases. Pure Appl. Chem. 84(9), 1857-1866 (2012).
-
(2012)
Pure Appl. Chem.
, vol.84
, Issue.9
, pp. 1857-1866
-
-
Guido, R.V.C.1
Oliva, G.2
Andricopulo, A.D.3
-
15
-
-
79955383691
-
In silico screening strategies for novel inhibitors of parasitic diseases
-
Ferreira RS, Guido RV, Andricopulo A.D., Oliva G. In silico screening strategies for novel inhibitors of parasitic diseases. Expert Opin. Drug Discov. 6(5), 481-489 (2011).
-
(2011)
Expert Opin. Drug Discov
, vol.6
, Issue.5
, pp. 481-489
-
-
Ferreira, R.S.1
Guido, R.V.2
Andricopulo, A.D.3
Oliva, G.4
-
16
-
-
39049094335
-
Virtual screening and its integration with modern drug design technologies
-
DOI 10.2174/092986708783330683
-
Guido RVC, Oliva G, Andricopulo AD Virtual screening and its integration with modern drug design technologies. Curr. Med. Chem. 15(1), 37-46 (2008). (Pubitemid 351234626)
-
(2008)
Current Medicinal Chemistry
, vol.15
, Issue.1
, pp. 37-46
-
-
Guido, R.V.C.1
Oliva, G.2
Andricopulo, A.D.3
-
17
-
-
77957235318
-
Discovery of new inhibitors of schistosoma mansoni PNP by pharmacophore-based virtual screening
-
Postigo MP, Guido RVC, Oliva G et al. Discovery of new inhibitors of Schistosoma mansoni PNP by pharmacophore-based virtual screening. J. Chem. Inf. Model. 50(9), 1693-1705 (2010).
-
(2010)
J. Chem. Inf. Model.
, vol.50
, Issue.9
, pp. 1693-1705
-
-
Postigo, M.P.1
Guido, R.V.C.2
Oliva, G.3
-
18
-
-
64949178452
-
Kinetic and crystallographic studies on glyceraldehyde-3-phosphate dehydrogenase from trypanosoma cruzi in complex with iodoacetate
-
Guido RVC, Balliano TL, Andricopulo A.D., Oliva G. Kinetic and crystallographic studies on glyceraldehyde-3-phosphate dehydrogenase from Trypanosoma cruzi in complex with iodoacetate. Lett. Drug Des. Discov. 6(3), 210-214 (2009).
-
(2009)
Lett. Drug Des. Discov.
, vol.6
, Issue.3
, pp. 210-214
-
-
Guido, R.V.C.1
Balliano, T.L.2
Andricopulo, A.D.3
Oliva, G.4
-
19
-
-
77958067493
-
Structural insights into the molecular basis responsible for the effects of immobilization on the kinetic parameters of glyceraldehyde-3-phosphate dehydrogenase from trypanosoma cruzi and human
-
Guido RVC, Cardoso CL, Moraes MC de, Andricopulo AD, Cass QB, Oliva G. Structural insights into the molecular basis responsible for the effects of immobilization on the kinetic parameters of glyceraldehyde-3-phosphate dehydrogenase from Trypanosoma cruzi and human. J. Braz. Chem. Soc. 21(10), 1845-1853 (2010).
-
(2010)
J. Braz. Chem. Soc.
, vol.21
, Issue.10
, pp. 1845-1853
-
-
Guido, R.V.C.1
Cardoso, C.L.2
De Moraes, M.C.3
Andricopulo, A.D.4
Cass, Q.B.5
Oliva, G.6
-
20
-
-
44449109653
-
Structural basis for selective inhibition of trypanosomatid glyceraldehyde-3-phosphate dehydrogenase: Molecular docking and 3D QSAR studies
-
DOI 10.1021/ci700453j
-
Guido RVC, Oliva G, Montanari C.A., Andricopulo AD Structural basis for selective inhibition of trypanosomatid glyceraldehyde-3-phosphate dehydrogenase: molecular docking and 3D QSAR studies. J. Chem. Inf. Model. 48(4), 918-929 (2008). (Pubitemid 351757757)
-
(2008)
Journal of Chemical Information and Modeling
, vol.48
, Issue.4
, pp. 918-929
-
-
Guido, R.V.C.1
Oliva, G.2
Montanari, C.A.3
Andricopulo, A.D.4
-
21
-
-
0032513293
-
Trypanosoma cruzi glycosomal glyceraldehyde-3-phosphate dehydrogenase: Structure, catalytic mechanism and targeted inhibitor design
-
DOI 10.1016/S0014-5793(98)00154-9, PII S0014579398001549
-
Souza DH, Garratt RC, Araújo AP et al. Trypanosoma cruzi glycosomal glyceraldehyde-3-phosphate dehydrogenase: structure, catalytic mechanism and targeted inhibitor design. FEBS Lett. 424(3), 131-135 (1998). (Pubitemid 28135298)
-
(1998)
FEBS Letters
, vol.424
, Issue.3
, pp. 131-135
-
-
Souza, D.H.F.1
Garratt, R.C.2
Araujo, A.P.U.3
Guimaraes, B.G.4
Jesus, W.D.P.5
Michels, P.A.M.6
Hannaert, V.7
Oliva, G.8
-
22
-
-
0037024369
-
Structure of Trypanosoma cruzi glycosomal glyceraldehyde-3-phosphate dehydrogenase complexed with chalepin, a natural product inhibitor, at 1.95 A resolution
-
DOI 10.1016/S0014-5793(02)02700-X, PII S001457930202700X
-
Pavão F., Castilho MS, Pupo MT et al. Structure of Trypanosoma cruzi glycosomal glyceraldehyde-3-phosphate dehydrogenase complexed with chalepin, a natural product inhibitor, at 1 A resolution. FEBS Lett. 520(1-3), 13-17 (2002). (Pubitemid 34607265)
-
(2002)
FEBS Letters
, vol.520
, Issue.1-3
, pp. 13-17
-
-
Pavao, F.1
Castilho, M.S.2
Pupo, M.T.3
Dias, R.L.A.4
Correa, A.G.5
Fernandes, J.B.6
Silva, M.F.G.F.7
Mafezoli, J.8
Vieira, P.C.9
Oliva, G.10
-
23
-
-
0038131064
-
Evidence for the two phosphate binding sites of an analogue of the thioacyl intermediate for the trypanosoma cruzi glyceraldehyde-3-phosphate dehydrogenase-catalyzed reaction, from its crystal structure
-
DOI 10.1021/bi0206107
-
Castilho MS, Pavão F, Oliva G., Ladame S, Willson M, Périé J. Evidence for the two phosphate binding sites of an analogue of the thioacyl intermediate for the Trypanosoma cruzi glyceraldehyde-3-phosphate dehydrogenase-catalyzed reaction, from its crystal structure. Biochemistry 42(23), 7143-7151 (2003). (Pubitemid 36706497)
-
(2003)
Biochemistry
, vol.42
, Issue.23
, pp. 7143-7151
-
-
Castilho, M.S.1
Pavao, F.2
Oliva, G.3
Ladame, S.4
Willson, M.5
Perie, J.6
-
24
-
-
0035927424
-
Adenosine analogues as selective inhibitors of glyceraldehyde-3-phosphate dehydrogenase of trypanosomatidae via structure-based drug design
-
DOI 10.1021/jm000472o
-
Bressi JC, Verlinde CL, Aronov AM et al. Adenosine analogues as selective inhibitors of glyceraldehyde-3-phosphate dehydrogenase of Trypanosomatidae via structure-based drug design. J. Med. Chem. 44(13), 2080-2093 (2001). (Pubitemid 32861769)
-
(2001)
Journal of Medicinal Chemistry
, vol.44
, Issue.13
, pp. 2080-2093
-
-
Bressi, J.C.1
Verlinde, C.L.M.J.2
Aronov, A.M.3
Shaw, M.L.4
Shin, S.S.5
Nguyen, L.N.6
Suresh, S.7
Buckner, F.S.8
Van Voorhis, W.C.9
Kuntz, I.D.10
Hol, W.G.J.11
Gelb, M.H.12
-
25
-
-
0032548073
-
Selective tight binding inhibitors of trypanosomal glyceraldehyde-3- phosphate dehydrogenase via structure-based drug design
-
DOI 10.1021/jm9802620
-
Aronov AM, Verlinde CL, Hol W.G., Gelb MH Selective tight binding inhibitors of trypanosomal glyceraldehyde-3-phosphate dehydrogenase via structure-based drug design. J. Med. Chem. 41(24), 4790-4799 (1998). (Pubitemid 28530455)
-
(1998)
Journal of Medicinal Chemistry
, vol.41
, Issue.24
, pp. 4790-4799
-
-
Aronov, A.M.1
Verlinde, C.L.M.J.2
Hol, W.G.J.3
Gelb, M.H.4
-
26
-
-
0033551233
-
Structure-based design of submicromolar, biologically active inhibitors of trypanosomatid glyceraldehyde-3-phosphate dehydrogenase
-
DOI 10.1073/pnas.96.8.4273
-
Aronov AM, Suresh S, Buckner FS et al. Structure-based design of submicromolar, biologically active inhibitors of trypanosomatid glyceraldehyde-3-phosphate dehydrogenase. Proc. Natl Acad. Sci. USA 96(8), 4273-4278 (1999). (Pubitemid 29190326)
-
(1999)
Proceedings of the National Academy of Sciences of the United States of America
, vol.96
, Issue.8
, pp. 4273-4278
-
-
Aronov, A.M.1
Suresh, S.2
Buckner, F.S.3
Van Voorhis, W.C.4
Verlinde, C.L.M.J.5
Opperdoes, F.R.6
Hol, W.G.J.7
Gelb, M.H.8
-
27
-
-
0035931561
-
+ analogue is a nanomolar inhibitor of trypanosomal glyceraldehyde-3-phosphate dehydrogenase
-
DOI 10.1016/S0960-894X(00)00608-9, PII S0960894X00006089
-
+ analogue is a nanomolar inhibitor of trypanosomal glyceraldehyde-3-phosphate dehydrogenase. Bioorg. Med. Chem. Lett. 11(2), 95-98 (2001). (Pubitemid 32101441)
-
(2001)
Bioorganic and Medicinal Chemistry Letters
, vol.11
, Issue.2
, pp. 95-98
-
-
Kennedy, K.J.1
Bressi, J.C.2
Gelb, M.H.3
-
28
-
-
0038336897
-
Application and limitations of x-ray crystallographic data in structure-based ligand and drug design
-
DOI 10.1002/anie.200200539
-
Davis AM, Teague SJ, Kleywegt GJ Application and limitations of x-ray crystallographic data in structure-based ligand and drug design. Angew. Chem. Int. Ed. Engl. 42(24), 2718-2736 (2003). (Pubitemid 36813974)
-
(2003)
Angewandte Chemie - International Edition
, vol.42
, Issue.24
, pp. 2718-2736
-
-
Davis, A.M.1
Teague, S.J.2
Kleywegt, G.J.3
-
29
-
-
84864199587
-
ZINC: A free tool to discover chemistry for biology
-
Irwin JJ, Sterling T, Mysinger M.M., Bolstad ES, Coleman RG ZINC: a free tool to discover chemistry for biology. J. Chem. Inf. Model. 52(7), 1757-1768 (2012).
-
(2012)
J. Chem. Inf. Model.
, vol.52
, Issue.7
, pp. 1757-1768
-
-
Irwin, J.J.1
Sterling, T.2
Mysinger, M.M.3
Bolstad, E.S.4
Coleman, R.G.5
-
30
-
-
0344442882
-
Crystal structure of Trypanosoma cruzi glyceraldehyde-3-phosphate dehydrogenase complexed with an analogue of 1,3-bisphospho-D-glyceric acid: Selective inhibition by structure-based design
-
DOI 10.1046/j.1432-1033.2003.03857.x
-
Ladame S, Castilho MS, Silva CHTP et al. Crystal structure of Trypanosoma cruzi glyceraldehyde-3-phosphate dehydrogenase complexed with an analogue of 1,3-bisphospho-D-glyceric acid. Eur. J. Biochem. 270(22), 4574-4586 (2003). (Pubitemid 37452534)
-
(2003)
European Journal of Biochemistry
, vol.270
, Issue.22
, pp. 4574-4586
-
-
Ladame, S.1
Castilho, M.S.2
Silva, C.H.T.P.3
Denier, C.4
Hannaert, V.5
Perie, J.6
Oliva, G.7
Willson, M.8
-
31
-
-
0031261930
-
IsoStar: A library of information about nonbonded interactions
-
Bruno IJ, Cole JC, Lommerse J.P., Rowland RS, Taylor R, Verdonk ML IsoStar: a library of information about nonbonded interactions. J. Comput. Aided Mol. Des. 11(6), 525-537 (1997). (Pubitemid 127506747)
-
(1997)
Journal of Computer-Aided Molecular Design
, vol.11
, Issue.6
, pp. 525-537
-
-
Bruno, I.J.1
Cole, J.C.2
Lommerse, J.P.M.3
Rowland, R.S.4
Taylor, R.5
Verdonk, M.L.6
-
32
-
-
84952944528
-
'Hot spot' analysis of protein-binding sites as a prerequisite for structure-based virtual screening and lead optimization
-
Langer T, Hoffmann RD (Eds). Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim, Germany
-
Brenk R, Klebe G. 'Hot Spot' Analysis of Protein-binding Sites as a Prerequisite for Structure-based Virtual Screening and Lead Optimization In: Pharmacophores and Pharmacophore Searches (Volume 32) Langer T, Hoffmann RD (Eds). Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim, Germany (2006).
-
(2006)
Pharmacophores and Pharmacophore Searches
, vol.32
-
-
Brenk, R.1
Klebe, G.2
-
33
-
-
0036510961
-
Identification and mapping of small-molecule binding sites in proteins: Computational tools for structure-based drug design
-
DOI 10.1016/S0014-827X(02)01211-9, PII S0014827X02012119
-
Sotriffer C, Klebe G. Identification and mapping of small-molecule binding sites in proteins: computational tools for structure-based drug design. Farmaco 57(3), 243-251 (2002). (Pubitemid 38365952)
-
(2002)
Farmaco
, vol.57
, Issue.3
, pp. 243-251
-
-
Sotriffer, C.1
Klebe, G.2
-
34
-
-
0034645763
-
Knowledge-based scoring function to predict protein-ligand interactions
-
DOI 10.1006/jmbi.1999.3371
-
Gohlke H, Hendlich M, Klebe G. Knowledge-based scoring function to predict protein-ligand interactions. J. Mol. Biol. 2(2), 337-356 (2000). (Pubitemid 30045364)
-
(2000)
Journal of Molecular Biology
, vol.295
, Issue.2
, pp. 337-356
-
-
Gohlke, H.1
Hendlich, M.2
Klebe, G.3
-
35
-
-
0021871375
-
A computational procedure for determining energetically favorable binding sites on biologically important macromolecules
-
DOI 10.1021/jm00145a002
-
Goodford PJ. A computational procedure for determining energetically favorable binding sites on biologically important macromolecules. J. Med. Chem. 28(7), 849-857 (1985). (Pubitemid 15012490)
-
(1985)
Journal of Medicinal Chemistry
, vol.28
, Issue.7
, pp. 849-857
-
-
Goodford, P.J.1
-
36
-
-
0036022958
-
Flexible docking under pharmacophore type constraints
-
DOI 10.1023/A:1016399411208
-
Hindle SA, Rarey M, Buning C., Lengaue T. Flexible docking under pharmacophore type constraints. J. Comput. Aided Mol. Des. 16(2), 129-149 (2002). (Pubitemid 34855039)
-
(2002)
Journal of Computer-Aided Molecular Design
, vol.16
, Issue.2
, pp. 129-149
-
-
Hindle, S.A.1
Rarey, M.2
Buning, C.3
Lengauer, T.4
-
37
-
-
0030599010
-
A fast flexible docking method using an incremental construction algorithm
-
DOI 10.1006/jmbi.1996.0477
-
Rarey M, Kramer B, Lengauer T., Klebe G. A fast flexible docking method using an incremental construction algorithm. J. Mol. Biol. 261(3), 470-489 (1996). (Pubitemid 26335901)
-
(1996)
Journal of Molecular Biology
, vol.261
, Issue.3
, pp. 470-489
-
-
Rarey, M.1
Kramer, B.2
Lengauer, T.3
Klebe, G.4
-
38
-
-
52949103672
-
Anacardic acid derivatives as inhibitors of glyceraldehyde-3-phosphate dehydrogenase from trypanosoma cruzi
-
Pereira JM, Severino R P, Vieira PC et al. Anacardic acid derivatives as inhibitors of glyceraldehyde-3-phosphate dehydrogenase from Trypanosoma cruzi. Bioorg. Med. Chem. 16(19), 8889-8888 (2008).
-
(2008)
Bioorg. Med. Chem.
, vol.16
, Issue.19
, pp. 8889-8888
-
-
Pereira, J.M.1
Severino, R.P.2
Vieira, P.C.3
-
39
-
-
0141792701
-
A specific mechanism of nonspecific inhibition
-
DOI 10.1021/jm030266r
-
McGovern SL, Helfand BT, Feng B, Shoichet BK A specific mechanism of nonspecific inhibition. J. Med. Chem. 46(20), 4265-4272 (2003). (Pubitemid 37153008)
-
(2003)
Journal of Medicinal Chemistry
, vol.46
, Issue.20
, pp. 4265-4272
-
-
McGovern, S.L.1
Helfand, B.T.2
Feng, B.3
Shoichet, B.K.4
-
40
-
-
11144357543
-
Structure-activity relationships of novel inhibitors of glyceraldehyde-3-phosphate dehydrogenase
-
DOI 10.1016/j.bmcl.2004.02.025, PII S0960894X04002288
-
Leitão A., Andricopulo AD, Oliva G et al. Structure-activity relationships of novel inhibitors of glyceraldehyde-3-phosphate dehydrogenase. Bioorg. Med. Chem. Lett. 14(9), 2199-2204 (2004). (Pubitemid 38481390)
-
(2004)
Bioorganic and Medicinal Chemistry Letters
, vol.14
, Issue.9
, pp. 2199-2204
-
-
Leitao, A.1
Andricopulo, A.D.2
Oliva, G.3
Pupo, M.T.4
De Marchi, A.A.5
Vieira, P.C.6
Da Silva, M.F.G.F.7
Ferreira, V.F.8
De Souza, M.C.B.V.9
Sa, M.M.10
Moraes, V.R.S.11
Montanari, C.A.12
-
41
-
-
4444264844
-
New 3-piperonylcoumarins as inhibitors of glycosomal glyceraldehyde-3- phosphate dehydrogenase (gGAPDH) from Trypanosoma cruzi
-
DOI 10.1016/j.bmc.2004.07.018, PII S0968089604005085
-
De Marchi A.A., Castilho MS, Nascimento PGB et al. New 3-piperonylcoumarins as inhibitors of glycosomal glyceraldehyde-3-phosphate dehydrogenase (gGAPDH) from Trypanosoma cruzi. Bioorg. Med. Chem. 12(18), 4823-4833 (2004). (Pubitemid 39164390)
-
(2004)
Bioorganic and Medicinal Chemistry
, vol.12
, Issue.18
, pp. 4823-4833
-
-
De Marchi, A.A.1
Castilho, M.S.2
Nascimento, P.G.B.3
Archanjo, F.C.4
Del Ponte, G.5
Oliva, G.6
Pupo, M.T.7
-
42
-
-
69049121497
-
A new bianthron glycoside as inhibitor of trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase activity
-
Macedo EMS d.e., Wiggers HJ, Silva MGV, Braz-Filho R, Andricopulo AD, Montanari CA A new bianthron glycoside as inhibitor of Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase activity. J. Braz. Chem. Soc. 20(5), 947-953 (2009).
-
(2009)
J. Braz. Chem. Soc.
, vol.20
, Issue.5
, pp. 947-953
-
-
De Macedo, E.M.S.1
Wiggers, H.J.2
Silva, M.G.V.3
Braz-Filho, R.4
Andricopulo, A.D.5
Montanari, C.A.6
-
43
-
-
62149091122
-
Discovery of novel trypanosoma cruzi glyceraldehyde-3-phosphate dehydrogenase inhibitors
-
Freitas R.F., Prokopczyk IM, Zottis A et al. Discovery of novel Trypanosoma cruzi glyceraldehyde-3-phosphate dehydrogenase inhibitors. Bioorg. Med. Chem. 17(6), 2476-2482 (2009).
-
(2009)
Bioorg. Med. Chem.
, vol.17
, Issue.6
, pp. 2476-2482
-
-
Freitas, R.F.1
Prokopczyk, I.M.2
Zottis, A.3
-
44
-
-
0034461768
-
Drug-like properties and the causes of poor solubility and poor permeability
-
DOI 10.1016/S1056-8719(00)00107-6, PII S1056871900001076
-
Lipinski CA. Drug-like properties and the causes of poor solubility and poor permeability. J. Pharmacol. Toxicol. Methods. 44(1), 235-249 (2000). (Pubitemid 32239479)
-
(2000)
Journal of Pharmacological and Toxicological Methods
, vol.44
, Issue.1
, pp. 235-249
-
-
Lipinski, C.A.1
-
45
-
-
0030914681
-
Polar molecular surface properties predict the intestinal absorption of drugs in humans
-
DOI 10.1023/A:1012188625088
-
Palm K, Stenberg P, Luthman K., Artursson P. Polar molecular surface properties predict the intestinal absorption of drugs in humans. Pharm Res. 14(5), 568-571 (1997). (Pubitemid 27220272)
-
(1997)
Pharmaceutical Research
, vol.14
, Issue.5
, pp. 568-571
-
-
Palm, K.1
Stenberg, P.2
Luthman, K.3
Artursson, P.4
-
46
-
-
1942453243
-
Ligand efficiency: A useful metric for lead selection
-
DOI 10.1016/S1359-6446(04)03069-7, PII S1359644604030697
-
Hopkins AL, Groom CR, Alex A. Ligand efficiency: a useful metric for lead selection. Drug Discov. Today. 9(10), 430-431 (2004). (Pubitemid 38510559)
-
(2004)
Drug Discovery Today
, vol.9
, Issue.10
, pp. 430-431
-
-
Hopkins, A.L.1
Groom, C.R.2
Alex, A.3
-
47
-
-
0035438391
-
Is there a difference between leads and drugs? A historical perspective
-
Oprea TI, Davis AM, Teague S.J., Leeson PD Is there a difference between leads and drugs? A historical perspective. J. Chem. Inf. Comput. Sci. 41(5), 1308-1315 (2001).
-
(2001)
J. Chem. Inf. Comput. Sci.
, vol.41
, Issue.5
, pp. 1308-1315
-
-
Oprea, T.I.1
Davis, A.M.2
Teague, S.J.3
Leeson, P.D.4
-
48
-
-
0031552362
-
Development and validation of a genetic algorithm for flexible docking
-
DOI 10.1006/jmbi.1996.0897
-
Jones G, Willet P, Glen RC et al. Development and validation of a genetic algorithm for flexible docking. J. Mol. Biol. 267(3), 727-748 (1997). (Pubitemid 27170693)
-
(1997)
Journal of Molecular Biology
, vol.267
, Issue.3
, pp. 727-748
-
-
Jones, G.1
Willett, P.2
Glen, R.C.3
Leach, A.R.4
Taylor, R.5
-
49
-
-
33748667774
-
Consensus scoring for protein-ligand interactions
-
DOI 10.1016/j.drudis.2006.03.009, PII S1359644606000523
-
Feher M. Consensus scoring for protein-ligand interactions. Drug Discov. Today. 11(9-10), 421-428 (2006). (Pubitemid 44382521)
-
(2006)
Drug Discovery Today
, vol.11
, Issue.9-10
, pp. 421-428
-
-
Feher, M.1
-
50
-
-
77953127571
-
Virtual screening: Scope and limitation
-
Alvarez J, Shoichet B (Eds). CRC Press, FL, USA
-
Klebe G. Virtual Screening: Scope And Limitation. In: Virtual Screening in Drug Discovery (Volume 1). Alvarez J, Shoichet B (Eds). CRC Press, FL, USA, 3-24 (2005).
-
(2005)
Virtual Screening in Drug Discovery
, vol.1
, pp. 3-24
-
-
Klebe, G.1
-
51
-
-
0029310576
-
Glycosomal glyceraldehyde-3-phosphate dehydrogenase of trypanosoma brucei and trypanosoma cruzi: Expression in escherichia coli, purification, and characterization of the enzymes
-
Hannaert V, Opperdoes FR, Michels PA Glycosomal glyceraldehyde-3- phosphate dehydrogenase of Trypanosoma brucei and Trypanosoma cruzi: expression in Escherichia coli, purification, and characterization of the enzymes. Protein Expr. Purif. 6(3), 244-250 (1995).
-
(1995)
Protein Expr. Purif.
, vol.6
, Issue.3
, pp. 244-250
-
-
Hannaert, V.1
Opperdoes, F.R.2
Michels, P.A.3
-
52
-
-
0043122944
-
ExPASy: The proteomics server for in-depth protein knowledge and analysis
-
DOI 10.1093/nar/gkg563
-
Gasteiger E, Gattiker A, Hoogland C., Ivanyi I, Appel RD, Bairoch A. ExPASy: the proteomics server for in-depth protein knowledge and ana lysis. Nucleic Acids Res. 31(13), 3784-3788 (2003). (Pubitemid 37442246)
-
(2003)
Nucleic Acids Research
, vol.31
, Issue.13
, pp. 3784-3788
-
-
Gasteiger, E.1
Gattiker, A.2
Hoogland, C.3
Ivanyi, I.4
Appel, R.D.5
Bairoch, A.6
-
53
-
-
84886384310
-
-
ClustalW2. www.ebi.ac.uk/Tools/msa/clustalw2
-
ClustalW2
-
-
|