-
1
-
-
84908399296
-
Detection of Nicking Endonuclease Activity Using a G-Quadruplex-Selective Luminescent Switch-On Probe
-
Lu, L.; Shiu-Hin Chan, D.; Kwong, D. W. J.; He, H.-Z.; Leung, C.-H.; Ma, D.-L. Detection of Nicking Endonuclease Activity Using a G-Quadruplex-Selective Luminescent Switch-On Probe Chem. Sci. 2014, 5, 4561-4568 10.1039/C4SC02032D
-
(2014)
Chem. Sci.
, vol.5
, pp. 4561-4568
-
-
Lu, L.1
Shiu-Hin Chan, D.2
Kwong, D.W.J.3
He, H.-Z.4
Leung, C.-H.5
Ma, D.-L.6
-
2
-
-
84877307520
-
G-Quadruplexes for Luminescent Sensing and Logic Gates
-
He, H.-Z.; Chan, D. S.-H.; Leung, C.-H.; Ma, D.-L. G-Quadruplexes for Luminescent Sensing and Logic Gates Nucleic Acids Res. 2013, 41, 4345-4359 10.1093/nar/gkt108
-
(2013)
Nucleic Acids Res.
, vol.41
, pp. 4345-4359
-
-
He, H.-Z.1
Chan, D.S.-H.2
Leung, C.-H.3
Ma, D.-L.4
-
3
-
-
84940823952
-
A Luminescent Cocaine Detection Platform Using a Split G-Quadruplex-Selective Iridium(III) Complex and a Three-Way DNA Junction Architecture
-
Ma, D.-L.; Wang, M.; He, B.; Yang, C.; Wang, W.; Leung, C.-H. A Luminescent Cocaine Detection Platform Using a Split G-Quadruplex-Selective Iridium(III) Complex and a Three-Way DNA Junction Architecture ACS Appl. Mater. Interfaces 2015, 7, 19060-19067 10.1021/acsami.5b05861
-
(2015)
ACS Appl. Mater. Interfaces
, vol.7
, pp. 19060-19067
-
-
Ma, D.-L.1
Wang, M.2
He, B.3
Yang, C.4
Wang, W.5
Leung, C.-H.6
-
4
-
-
84900824121
-
Small-Molecule Quadruplex-Targeted Drug Discovery
-
Ohnmacht, S. A.; Neidle, S. Small-Molecule Quadruplex-Targeted Drug Discovery Bioorg. Med. Chem. Lett. 2014, 24, 2602-2612 10.1016/j.bmcl.2014.04.029
-
(2014)
Bioorg. Med. Chem. Lett.
, vol.24
, pp. 2602-2612
-
-
Ohnmacht, S.A.1
Neidle, S.2
-
5
-
-
44349142304
-
Structural Basis of DNA Quadruplex Recognition by an Acridine Drug
-
Campbell, N. H.; Parkinson, G. N.; Reszka, A. P.; Neidle, S. Structural Basis of DNA Quadruplex Recognition by an Acridine Drug J. Am. Chem. Soc. 2008, 130, 6722-6724 10.1021/ja8016973
-
(2008)
J. Am. Chem. Soc.
, vol.130
, pp. 6722-6724
-
-
Campbell, N.H.1
Parkinson, G.N.2
Reszka, A.P.3
Neidle, S.4
-
6
-
-
84856708526
-
Structural Basis for Telomeric G-Quadruplex Targeting by Naphthalene Diimide Ligands
-
Collie, G. W.; Promontorio, R.; Hampel, S. M.; Micco, M.; Neidle, S.; Parkinson, G. N. Structural Basis for Telomeric G-Quadruplex Targeting by Naphthalene Diimide Ligands J. Am. Chem. Soc. 2012, 134, 2723-2731 10.1021/ja2102423
-
(2012)
J. Am. Chem. Soc.
, vol.134
, pp. 2723-2731
-
-
Collie, G.W.1
Promontorio, R.2
Hampel, S.M.3
Micco, M.4
Neidle, S.5
Parkinson, G.N.6
-
7
-
-
84876215753
-
Structure-Based Design and Evaluation of Naphthalene Diimide G-Quadruplex Ligands as Telomere Targeting Agents in Pancreatic Cancer Cells
-
Micco, M.; Collie, G. W.; Dale, A. G.; Ohnmacht, S. A.; Pazitna, I.; Gunaratnam, M.; Reszka, A. P.; Neidle, S. Structure-Based Design and Evaluation of Naphthalene Diimide G-Quadruplex Ligands as Telomere Targeting Agents in Pancreatic Cancer Cells J. Med. Chem. 2013, 56, 2959-2974 10.1021/jm301899y
-
(2013)
J. Med. Chem.
, vol.56
, pp. 2959-2974
-
-
Micco, M.1
Collie, G.W.2
Dale, A.G.3
Ohnmacht, S.A.4
Pazitna, I.5
Gunaratnam, M.6
Reszka, A.P.7
Neidle, S.8
-
8
-
-
84871784359
-
The Crystal Structure of Human Telomeric DNA Complexed with Berberine: An Interesting Case of Stacked Ligand to G-Tetrad Ratio Higher than 1:1
-
Bazzicalupi, C.; Ferraroni, M.; Bilia, A. R.; Scheggi, F.; Gratteri, P. The Crystal Structure of Human Telomeric DNA Complexed with Berberine: An Interesting Case of Stacked Ligand to G-Tetrad Ratio Higher than 1:1 Nucleic Acids Res. 2013, 41, 632-638 10.1093/nar/gks1001
-
(2013)
Nucleic Acids Res.
, vol.41
, pp. 632-638
-
-
Bazzicalupi, C.1
Ferraroni, M.2
Bilia, A.R.3
Scheggi, F.4
Gratteri, P.5
-
9
-
-
48149094964
-
Discovery of a Drug-Like G-Quadruplex Binding Ligand by High-Throughput Docking
-
Ma, D.-L.; Lai, T.-S.; Chan, F.-Y.; Chung, W.-H.; Abagyan, R.; Leung, Y.-C.; Wong, K.-Y. Discovery of a Drug-Like G-Quadruplex Binding Ligand by High-Throughput Docking ChemMedChem 2008, 3, 881-884 10.1002/cmdc.200700342
-
(2008)
ChemMedChem
, vol.3
, pp. 881-884
-
-
Ma, D.-L.1
Lai, T.-S.2
Chan, F.-Y.3
Chung, W.-H.4
Abagyan, R.5
Leung, Y.-C.6
Wong, K.-Y.7
-
10
-
-
78751648189
-
Pharmacophore-Based Discovery of Triaryl-Substituted Imidazole as New Telomeric G-Quadruplex Ligand
-
Chen, S.-B.; Tan, J.-H.; Ou, T.-M.; Huang, S.-L.; An, L.-K.; Luo, H.-B.; Li, D.; Gu, L.-Q.; Huang, Z.-S. Pharmacophore-Based Discovery of Triaryl-Substituted Imidazole as New Telomeric G-Quadruplex Ligand Bioorg. Med. Chem. Lett. 2011, 21, 1004-1009 10.1016/j.bmcl.2010.12.019
-
(2011)
Bioorg. Med. Chem. Lett.
, vol.21
, pp. 1004-1009
-
-
Chen, S.-B.1
Tan, J.-H.2
Ou, T.-M.3
Huang, S.-L.4
An, L.-K.5
Luo, H.-B.6
Li, D.7
Gu, L.-Q.8
Huang, Z.-S.9
-
11
-
-
84873894447
-
Identification and Characterization of New DNA G-Quadruplex Binders Selected by a Combination of Ligand and Structure-Based Virtual Screening Approaches
-
Alcaro, S.; Musetti, C.; Distinto, S.; Casatti, M.; Zagotto, G.; Artese, A.; Parrotta, L.; Moraca, F.; Costa, G.; Ortuso, F.; Maccioni, E.; Sissi, C. Identification and Characterization of New DNA G-Quadruplex Binders Selected by a Combination of Ligand and Structure-Based Virtual Screening Approaches J. Med. Chem. 2013, 56, 843-855 10.1021/jm3013486
-
(2013)
J. Med. Chem.
, vol.56
, pp. 843-855
-
-
Alcaro, S.1
Musetti, C.2
Distinto, S.3
Casatti, M.4
Zagotto, G.5
Artese, A.6
Parrotta, L.7
Moraca, F.8
Costa, G.9
Ortuso, F.10
Maccioni, E.11
Sissi, C.12
-
12
-
-
84945549985
-
Harmonization of QSAR Best Practices and Molecular Docking Provides an Efficient Virtual Screening Tool for Discovering New G-Quadruplex Ligands
-
Castillo-González, D.; Mergny, J.-L.; De Rache, A.; Pérez-Machado, G.; Cabrera-Pérez, M. A.; Nicolotti, O.; Introcaso, A.; Mangiatordi, G. F.; Guédin, A.; Bourdoncle, A.; Garrigues, T.; Pallardó, F.; Cordeiro, M. N. D. S.; Paz-y-Miño, C.; Tejera, E.; Borges, F.; Cruz-Monteagudo, M. Harmonization of QSAR Best Practices and Molecular Docking Provides an Efficient Virtual Screening Tool for Discovering New G-Quadruplex Ligands J. Chem. Inf. Model. 2015, 55, 2094-2110 10.1021/acs.jcim.5b00415
-
(2015)
J. Chem. Inf. Model.
, vol.55
, pp. 2094-2110
-
-
Castillo-González, D.1
Mergny, J.-L.2
De Rache, A.3
Pérez-Machado, G.4
Cabrera-Pérez, M.A.5
Nicolotti, O.6
Introcaso, A.7
Mangiatordi, G.F.8
Guédin, A.9
Bourdoncle, A.10
Garrigues, T.11
Pallardó, F.12
Cordeiro, M.N.D.S.13
Paz-Y-Miño, C.14
Tejera, E.15
Borges, F.16
Cruz-Monteagudo, M.17
-
13
-
-
85026053788
-
Glossary of Terms Used in Medicinal Chemistry (IUPAC Recommendations 1998)
-
Wermuth, G.; Ganellin, C. R.; Lindberg, P.; Mitscher, L. A. Glossary of Terms Used in Medicinal Chemistry (IUPAC Recommendations 1998) Pure Appl. Chem. 1998, 70, 1129-1143 10.1351/pac199870051129
-
(1998)
Pure Appl. Chem.
, vol.70
, pp. 1129-1143
-
-
Wermuth, G.1
Ganellin, C.R.2
Lindberg, P.3
Mitscher, L.A.4
-
14
-
-
84962347608
-
-
version 3.0.0; OpenEye Scientific Software: Santa FE, NM
-
vROCS, version 3.0.0; OpenEye Scientific Software: Santa FE, NM; http://www.eyesopen.com.
-
VROCS
-
-
-
15
-
-
33846212271
-
Comparison of Shape-Matching and Docking as Virtual Screening Tools
-
Hawkins, P. C.; Skillman, A. G.; Nicholls, A. Comparison of Shape-Matching and Docking as Virtual Screening Tools J. Med. Chem. 2007, 50, 74-82 10.1021/jm0603365
-
(2007)
J. Med. Chem.
, vol.50
, pp. 74-82
-
-
Hawkins, P.C.1
Skillman, A.G.2
Nicholls, A.3
-
16
-
-
65249089058
-
How to Optimize Shape-Based Virtual Screening: Choosing the Right Query and Including Chemical Information
-
Kirchmair, J.; Distinto, S.; Markt, P.; Schuster, D.; Spitzer, G. M.; Liedl, K. R.; Wolber, G. How to Optimize Shape-Based Virtual Screening: Choosing the Right Query and Including Chemical Information J. Chem. Inf. Model. 2009, 49, 678-692 10.1021/ci8004226
-
(2009)
J. Chem. Inf. Model.
, vol.49
, pp. 678-692
-
-
Kirchmair, J.1
Distinto, S.2
Markt, P.3
Schuster, D.4
Spitzer, G.M.5
Liedl, K.R.6
Wolber, G.7
-
17
-
-
8844263008
-
Docking and Scoring in Virtual Screening for Drug Discovery: Methods and Applications
-
Kitchen, D. B.; Decornez, H.; Furr, J. R.; Bajorath, J. Docking and Scoring in Virtual Screening for Drug Discovery: Methods and Applications Nat. Rev. Drug Discovery 2004, 3, 935-949 10.1038/nrd1549
-
(2004)
Nat. Rev. Drug Discovery
, vol.3
, pp. 935-949
-
-
Kitchen, D.B.1
Decornez, H.2
Furr, J.R.3
Bajorath, J.4
-
18
-
-
84933525739
-
In Silico Predictions of Drug-Drug Interactions Caused by CYP1A2, 2C9, and 3A4 Inhibition - A Comparative Study of Virtual Screening Performance
-
Kaserer, T.; Höferl, M.; Müller, K.; Elmer, S.; Ganzera, M.; Jäger, W.; Schuster, D. In Silico Predictions of Drug-Drug Interactions Caused by CYP1A2, 2C9, and 3A4 Inhibition-A Comparative Study of Virtual Screening Performance Mol. Inf. 2015, 34, 431-457 10.1002/minf.201400192
-
(2015)
Mol. Inf.
, vol.34
, pp. 431-457
-
-
Kaserer, T.1
Höferl, M.2
Müller, K.3
Elmer, S.4
Ganzera, M.5
Jäger, W.6
Schuster, D.7
-
19
-
-
84928563915
-
Prospective Performance Evaluation of Selected Common Virtual Screening Tools. Case Study: Cyclooxygenase (COX) 1 and 2
-
Kaserer, T.; Temml, V.; Kutil, Z.; Vanek, T.; Landa, P.; Schuster, D. Prospective Performance Evaluation of Selected Common Virtual Screening Tools. Case Study: Cyclooxygenase (COX) 1 and 2 Eur. J. Med. Chem. 2015, 96, 445-457 10.1016/j.ejmech.2015.04.017
-
(2015)
Eur. J. Med. Chem.
, vol.96
, pp. 445-457
-
-
Kaserer, T.1
Temml, V.2
Kutil, Z.3
Vanek, T.4
Landa, P.5
Schuster, D.6
-
20
-
-
13844320566
-
LigandScout: 3-D Pharmacophores Derived from Protein-Bound Ligands and Their Use as Virtual Screening Filters
-
Wolber, G.; Langer, T. LigandScout: 3-D Pharmacophores Derived from Protein-Bound Ligands and Their Use as Virtual Screening Filters J. Chem. Inf. Model. 2005, 45, 160-169 10.1021/ci049885e
-
(2005)
J. Chem. Inf. Model.
, vol.45
, pp. 160-169
-
-
Wolber, G.1
Langer, T.2
-
21
-
-
68349130197
-
Design, Synthesis and Evaluation of 4,5-di-Substituted Acridone Ligands with High G-Quadruplex Affinity and Selectivity, Together with Low Toxicity to Normal Cells
-
Cuenca, F.; Moore, M. J. B.; Johnson, K.; Guyen, B.; De Cian, A.; Neidle, S. Design, Synthesis and Evaluation of 4,5-di-Substituted Acridone Ligands with High G-Quadruplex Affinity and Selectivity, Together with Low Toxicity to Normal Cells Bioorg. Med. Chem. Lett. 2009, 19, 5109-5113 10.1016/j.bmcl.2009.07.033
-
(2009)
Bioorg. Med. Chem. Lett.
, vol.19
, pp. 5109-5113
-
-
Cuenca, F.1
Moore, M.J.B.2
Johnson, K.3
Guyen, B.4
De Cian, A.5
Neidle, S.6
-
22
-
-
43949111648
-
Targeting Telomerase and Telomeres: A Click Chemistry Approach Towards Highly Selective G-Quadruplex Ligands
-
Moorhouse, A. D.; Haider, S.; Gunaratnam, M.; Munnur, D.; Neidle, S.; Moses, J. E. Targeting Telomerase and Telomeres: A Click Chemistry Approach Towards Highly Selective G-Quadruplex Ligands Mol. BioSyst. 2008, 4, 629-642 10.1039/b801822g
-
(2008)
Mol. BioSyst.
, vol.4
, pp. 629-642
-
-
Moorhouse, A.D.1
Haider, S.2
Gunaratnam, M.3
Munnur, D.4
Neidle, S.5
Moses, J.E.6
-
23
-
-
84855761960
-
Disubstituted Quinazoline Derivatives as a New Type of Highly Selective Ligands for Telomeric G-Quadruplex DNA
-
Li, Z.; Tan, J.-H.; He, J.-H.; Long, Y.; Ou, T.-M.; Li, D.; Gu, L.-Q.; Huang, Z.-S. Disubstituted Quinazoline Derivatives as a New Type of Highly Selective Ligands for Telomeric G-Quadruplex DNA Eur. J. Med. Chem. 2012, 47, 299-311 10.1016/j.ejmech.2011.10.057
-
(2012)
Eur. J. Med. Chem.
, vol.47
, pp. 299-311
-
-
Li, Z.1
Tan, J.-H.2
He, J.-H.3
Long, Y.4
Ou, T.-M.5
Li, D.6
Gu, L.-Q.7
Huang, Z.-S.8
-
24
-
-
80052043391
-
Unraveling the Relationship between Structure and Stabilization of Triarylpyridines as G-Quadruplex Binding Ligands
-
Smith, N. M.; Labrunie, G.; Corry, B.; Tran, P. L. T.; Norret, M.; Djavaheri-Mergny, M.; Raston, C. L.; Mergny, J.-L. Unraveling the Relationship Between Structure and Stabilization of Triarylpyridines as G-Quadruplex Binding Ligands Org. Biomol. Chem. 2011, 9, 6154-6162 10.1039/c1ob05560g
-
(2011)
Org. Biomol. Chem.
, vol.9
, pp. 6154-6162
-
-
Smith, N.M.1
Labrunie, G.2
Corry, B.3
Tran, P.L.T.4
Norret, M.5
Djavaheri-Mergny, M.6
Raston, C.L.7
Mergny, J.-L.8
-
25
-
-
67749103504
-
Synthesis and Biological Evaluation of Novel 4,5-Bis(Dialkylaminoalkyl)-Substituted Acridines as Potent Telomeric G-Quadruplex Ligands
-
Laronze-Cochard, M.; Kim, Y.-M.; Brassart, B.; Riou, J.-F.; Laronze, J.-Y.; Sapi, J. Synthesis and Biological Evaluation of Novel 4,5-Bis(Dialkylaminoalkyl)-Substituted Acridines as Potent Telomeric G-Quadruplex Ligands Eur. J. Med. Chem. 2009, 44, 3880-3888 10.1016/j.ejmech.2009.04.021
-
(2009)
Eur. J. Med. Chem.
, vol.44
, pp. 3880-3888
-
-
Laronze-Cochard, M.1
Kim, Y.-M.2
Brassart, B.3
Riou, J.-F.4
Laronze, J.-Y.5
Sapi, J.6
-
26
-
-
28544447925
-
Synthesis and Evaluation of Quindoline Derivatives as G-Quadruplex Inducing and Stabilizing Ligands and Potential Inhibitors of Telomerase
-
Zhou, J.-L.; Lu, Y.-J.; Ou, T.-M.; Zhou, J.-M.; Huang, Z.-S.; Zhu, X.-F.; Du, C.-J.; Bu, X.-Z.; Ma, L.; Gu, L.-Q.; Li, Y.-M.; Chan, A. S.-C. Synthesis and Evaluation of Quindoline Derivatives as G-Quadruplex Inducing and Stabilizing Ligands and Potential Inhibitors of Telomerase J. Med. Chem. 2005, 48, 7315-7321 10.1021/jm050041b
-
(2005)
J. Med. Chem.
, vol.48
, pp. 7315-7321
-
-
Zhou, J.-L.1
Lu, Y.-J.2
Ou, T.-M.3
Zhou, J.-M.4
Huang, Z.-S.5
Zhu, X.-F.6
Du, C.-J.7
Bu, X.-Z.8
Ma, L.9
Gu, L.-Q.10
Li, Y.-M.11
Chan, A.S.-C.12
-
27
-
-
54549117013
-
5-N-Methylated Quindoline Derivatives as Telomeric G-Quadruplex Stabilizing Ligands: Effects of 5-N Positive Charge on Quadruplex Binding Affinity and Cell Proliferation
-
Lu, Y.-J.; Ou, T.-M.; Tan, J.-H.; Hou, J.-Q.; Shao, W.-Y.; Peng, D.; Sun, N.; Wang, X.-D.; Wu, W.-B.; Bu, X.-Z.; Huang, Z.-S.; Ma, D.-L.; Wong, K.-Y.; Gu, L.-Q. 5-N-Methylated Quindoline Derivatives as Telomeric G-Quadruplex Stabilizing Ligands: Effects of 5-N Positive Charge on Quadruplex Binding Affinity and Cell Proliferation J. Med. Chem. 2008, 51, 6381-6392 10.1021/jm800497p
-
(2008)
J. Med. Chem.
, vol.51
, pp. 6381-6392
-
-
Lu, Y.-J.1
Ou, T.-M.2
Tan, J.-H.3
Hou, J.-Q.4
Shao, W.-Y.5
Peng, D.6
Sun, N.7
Wang, X.-D.8
Wu, W.-B.9
Bu, X.-Z.10
Huang, Z.-S.11
Ma, D.-L.12
Wong, K.-Y.13
Gu, L.-Q.14
-
28
-
-
84877834547
-
4-(1H-Imidazo[4,5-f]-1,10-phenanthrolin-2-yl)phenol-Based G-Quadruplex DNA Binding Agents: Telomerase Inhibition, Cytotoxicity and DNA-Binding Studies
-
Wei, C.-Y.; Wang, J.-H.; Wen, Y.; Liu, J.; Wang, L.-H. 4-(1H-Imidazo[4,5-f]-1,10-phenanthrolin-2-yl)phenol-Based G-Quadruplex DNA Binding Agents: Telomerase Inhibition, Cytotoxicity and DNA-Binding Studies Bioorg. Med. Chem. 2013, 21, 3379-3387 10.1016/j.bmc.2012.11.059
-
(2013)
Bioorg. Med. Chem.
, vol.21
, pp. 3379-3387
-
-
Wei, C.-Y.1
Wang, J.-H.2
Wen, Y.3
Liu, J.4
Wang, L.-H.5
-
29
-
-
39049179186
-
Affinity and Selectivity of G4 Ligands Measured by FRET
-
De Cian, A.; Guittat, L.; Shin-ya, K.; Riou, J.-F.; Mergny, J.-L. Affinity and Selectivity of G4 Ligands Measured by FRET Nucleic Acids Symp. Ser. 2005, 49, 235-236 10.1093/nass/49.1.235
-
(2005)
Nucleic Acids Symp. Ser.
, vol.49
, pp. 235-236
-
-
De Cian, A.1
Guittat, L.2
Shin-Ya, K.3
Riou, J.-F.4
Mergny, J.-L.5
-
30
-
-
58149085288
-
Rational Design of Substituted Diarylureas: A Scaffold for Binding to G-Quadruplex Motifs
-
Drewe, W. C.; Nanjunda, R.; Gunaratnam, M.; Beltran, M.; Parkinson, G. N.; Reszka, A. P.; Wilson, W. D.; Neidle, S. Rational Design of Substituted Diarylureas: A Scaffold for Binding to G-Quadruplex Motifs J. Med. Chem. 2008, 51, 7751-7767 10.1021/jm801245v
-
(2008)
J. Med. Chem.
, vol.51
, pp. 7751-7767
-
-
Drewe, W.C.1
Nanjunda, R.2
Gunaratnam, M.3
Beltran, M.4
Parkinson, G.N.5
Reszka, A.P.6
Wilson, W.D.7
Neidle, S.8
-
31
-
-
84962410570
-
-
version 5.2; CCDC: Cambridge, UK
-
GOLD, version 5.2; CCDC: Cambridge, UK; www.ccdc.cam.ac.uk.
-
GOLD
-
-
-
32
-
-
0031552362
-
Development and Validation of a Genetic Algorithm for Flexible Docking
-
Jones, G.; Willett, P.; Glen, R. C.; Leach, A. R.; Taylor, R. Development and Validation of a Genetic Algorithm for Flexible Docking J. Mol. Biol. 1997, 267, 727-748 10.1006/jmbi.1996.0897
-
(1997)
J. Mol. Biol.
, vol.267
, pp. 727-748
-
-
Jones, G.1
Willett, P.2
Glen, R.C.3
Leach, A.R.4
Taylor, R.5
-
33
-
-
37249062877
-
-
Release 3.5; Accelrys Inc. San Diego
-
Discovery Studio, Release 3.5; Accelrys Inc.: San Diego, 2012.
-
(2012)
Discovery Studio
-
-
-
34
-
-
33846876695
-
Relating Protein Pharmacology by Ligand Chemistry
-
Keiser, M. J.; Roth, B. L.; Armbruster, B. N.; Ernsberger, P.; Irwin, J. J.; Shoichet, B. K. Relating Protein Pharmacology by Ligand Chemistry Nat. Biotechnol. 2007, 25, 197-206 10.1038/nbt1284
-
(2007)
Nat. Biotechnol.
, vol.25
, pp. 197-206
-
-
Keiser, M.J.1
Roth, B.L.2
Armbruster, B.N.3
Ernsberger, P.4
Irwin, J.J.5
Shoichet, B.K.6
-
35
-
-
84904325452
-
Prediction of the Biological Activity Spectra of Organic Compounds Using the Pass Online Web Resource
-
Filimonov, D. A.; Lagunin, A. A.; Gloriozova, T. A.; Rudik, A. V.; Druzhilovskii, D. S.; Pogodin, P. V.; Poroikov, V. V. Prediction of the Biological Activity Spectra of Organic Compounds Using the Pass Online Web Resource Chem. Heterocycl. Compd. 2014, 50, 444-457 10.1007/s10593-014-1496-1
-
(2014)
Chem. Heterocycl. Compd.
, vol.50
, pp. 444-457
-
-
Filimonov, D.A.1
Lagunin, A.A.2
Gloriozova, T.A.3
Rudik, A.V.4
Druzhilovskii, D.S.5
Pogodin, P.V.6
Poroikov, V.V.7
-
36
-
-
77954264038
-
PharmMapper Server: A Web Server for Potential Drug Target Identification Using Pharmacophore Mapping Approach
-
Liu, X.; Ouyang, S.; Yu, B.; Liu, Y.; Huang, K.; Gong, J.; Zheng, S.; Li, Z.; Li, H.; Jiang, H. PharmMapper Server: A Web Server for Potential Drug Target Identification Using Pharmacophore Mapping Approach Nucleic Acids Res. 2010, 38, W609-614 10.1093/nar/gkq300
-
(2010)
Nucleic Acids Res.
, vol.38
, pp. W609-W614
-
-
Liu, X.1
Ouyang, S.2
Yu, B.3
Liu, Y.4
Huang, K.5
Gong, J.6
Zheng, S.7
Li, Z.8
Li, H.9
Jiang, H.10
-
37
-
-
84862587840
-
Spectroscopic, Molecular Modeling, and NMR-Spectroscopic Investigation of the Binding Mode of the Natural Alkaloids Berberine and Sanguinarine to Human Telomeric G-Quadruplex DNA
-
Bessi, I.; Bazzicalupi, C.; Richter, C.; Jonker, H. R. A.; Saxena, K.; Sissi, C.; Chioccioli, M.; Bianco, S.; Bilia, A. R.; Schwalbe, H.; Gratteri, P. Spectroscopic, Molecular Modeling, and NMR-Spectroscopic Investigation of the Binding Mode of the Natural Alkaloids Berberine and Sanguinarine to Human Telomeric G-Quadruplex DNA ACS Chem. Biol. 2012, 7, 1109-1119 10.1021/cb300096g
-
(2012)
ACS Chem. Biol.
, vol.7
, pp. 1109-1119
-
-
Bessi, I.1
Bazzicalupi, C.2
Richter, C.3
Jonker, H.R.A.4
Saxena, K.5
Sissi, C.6
Chioccioli, M.7
Bianco, S.8
Bilia, A.R.9
Schwalbe, H.10
Gratteri, P.11
-
38
-
-
79951716375
-
Interaction of Berberine, Palmatine, Coralyne, and Sanguinarine to Quadruplex DNA: A Comparative Spectroscopic and Calorimetric Study
-
Bhadra, K.; Kumar, G. S. Interaction of Berberine, Palmatine, Coralyne, and Sanguinarine to Quadruplex DNA: A Comparative Spectroscopic and Calorimetric Study Biochim. Biophys. Acta, Gen. Subj. 2011, 1810, 485-496 10.1016/j.bbagen.2011.01.011
-
(2011)
Biochim. Biophys. Acta, Gen. Subj.
, vol.1810
, pp. 485-496
-
-
Bhadra, K.1
Kumar, G.S.2
-
39
-
-
33749245117
-
Prediction of Protein-Ligand Interactions. Docking and Scoring: Successes and Gaps
-
Leach, A. R.; Shoichet, B. K.; Peishoff, C. E. Prediction of Protein-Ligand Interactions. Docking and Scoring: Successes and Gaps J. Med. Chem. 2006, 49, 5851-5855 10.1021/jm060999m
-
(2006)
J. Med. Chem.
, vol.49
, pp. 5851-5855
-
-
Leach, A.R.1
Shoichet, B.K.2
Peishoff, C.E.3
-
40
-
-
84862011491
-
Protein-Ligand-Based Pharmacophores: Generation and Utility Assessment in Computational Ligand Profiling
-
Meslamani, J.; Li, J.; Sutter, J.; Stevens, A.; Bertrand, H. O.; Rognan, D. Protein-Ligand-Based Pharmacophores: Generation and Utility Assessment in Computational Ligand Profiling J. Chem. Inf. Model. 2012, 52, 943-955 10.1021/ci300083r
-
(2012)
J. Chem. Inf. Model.
, vol.52
, pp. 943-955
-
-
Meslamani, J.1
Li, J.2
Sutter, J.3
Stevens, A.4
Bertrand, H.O.5
Rognan, D.6
-
41
-
-
4544367743
-
Comparative Evaluation of Eight Docking Tools for Docking and Virtual Screening Accuracy
-
Kellenberger, E.; Rodrigo, J.; Muller, P.; Rognan, D. Comparative Evaluation of Eight Docking Tools for Docking and Virtual Screening Accuracy Proteins: Struct., Funct., Genet. 2004, 57, 225-242 10.1002/prot.20149
-
(2004)
Proteins: Struct., Funct., Genet.
, vol.57
, pp. 225-242
-
-
Kellenberger, E.1
Rodrigo, J.2
Muller, P.3
Rognan, D.4
-
42
-
-
79960697965
-
Conformational Studies and Solvent-Accessible Surface Area Analysis of Known Selective DNA G-Quadruplex Binders
-
Alcaro, S.; Artese, A.; Costa, G.; Distinto, S.; Ortuso, F.; Parrotta, L. Conformational Studies and Solvent-Accessible Surface Area Analysis of Known Selective DNA G-Quadruplex Binders Biochimie 2011, 93, 1267-1274 10.1016/j.biochi.2011.06.014
-
(2011)
Biochimie
, vol.93
, pp. 1267-1274
-
-
Alcaro, S.1
Artese, A.2
Costa, G.3
Distinto, S.4
Ortuso, F.5
Parrotta, L.6
-
45
-
-
0001368374
-
Distribution de la Flore Alpine dans le Bassin des Dranses et dans Quelques Régions Voisines
-
Jaccard, P. Distribution de la Flore Alpine dans le Bassin des Dranses et dans Quelques Régions Voisines Bull. Soc. Vaud. sci. nat. 1901, 37, 241-272
-
(1901)
Bull. Soc. Vaud. Sci. Nat.
, vol.37
, pp. 241-272
-
-
Jaccard, P.1
-
46
-
-
84870975565
-
Identification of G-Quadruplex Inducers Using a Simple, Inexpensive and Rapid High Throughput Assay, and Their Inhibition of Human Telomerase
-
Sassano, M. F.; Schlesinger, A. P.; Jarstfer, M. B. Identification of G-Quadruplex Inducers Using a Simple, Inexpensive and Rapid High Throughput Assay, and Their Inhibition of Human Telomerase Open Med. Chem. J. 2012, 6, 20-28 10.2174/1874104501206010020
-
(2012)
Open Med. Chem. J.
, vol.6
, pp. 20-28
-
-
Sassano, M.F.1
Schlesinger, A.P.2
Jarstfer, M.B.3
-
47
-
-
84918564824
-
Targeting DNA with Small Molecules: A Comparative Study of a Library of Azonia Aromatic Chromophores
-
Suarez, R. M.; Bosch, P.; Sucunza, D.; Cuadro, A. M.; Domingo, A.; Mendicuti, F.; Vaquero, J. J. Targeting DNA with Small Molecules: A Comparative Study of a Library of Azonia Aromatic Chromophores Org. Biomol. Chem. 2015, 13, 527-538 10.1039/C4OB01465K
-
(2015)
Org. Biomol. Chem.
, vol.13
, pp. 527-538
-
-
Suarez, R.M.1
Bosch, P.2
Sucunza, D.3
Cuadro, A.M.4
Domingo, A.5
Mendicuti, F.6
Vaquero, J.J.7
-
48
-
-
0030807180
-
Azino-Fused Benzimidazolium Salts as DNA Intercalating Agents. 2
-
Pastor, J.; Siro, J. G.; García-Navío, J. L.; Vaquero, J. J.; Alvarez-Builla, J.; Gago, F.; de Pascual-Teresa, B.; Pastor, M.; Rodrigo, M. M. Azino-Fused Benzimidazolium Salts as DNA Intercalating Agents. 2 J. Org. Chem. 1997, 62, 5476-5483 10.1021/jo962055i
-
(1997)
J. Org. Chem.
, vol.62
, pp. 5476-5483
-
-
Pastor, J.1
Siro, J.G.2
García-Navío, J.L.3
Vaquero, J.J.4
Alvarez-Builla, J.5
Gago, F.6
De Pascual-Teresa, B.7
Pastor, M.8
Rodrigo, M.M.9
-
49
-
-
0028803899
-
Synthesis of New Azino Fused Benzimidazolium Salts. A New Family of DNA Intercalating Agents. I
-
Pastor, J.; Siró, J.; García-Navío, J.; Vaquero, J. J.; Melia Rodrigo, M.; Ballesteros, M.; Alvarez-Builla, J. Synthesis of New Azino Fused Benzimidazolium Salts. A New Family of DNA Intercalating Agents. I Bioorg. Med. Chem. Lett. 1995, 5, 3043-3048 10.1016/0960-894X(95)00532-4
-
(1995)
Bioorg. Med. Chem. Lett.
, vol.5
, pp. 3043-3048
-
-
Pastor, J.1
Siró, J.2
García-Navío, J.3
Vaquero, J.J.4
Melia Rodrigo, M.5
Ballesteros, M.6
Alvarez-Builla, J.7
-
50
-
-
0023892477
-
Study of the Lumiescence Properties of a New Series of Quinolizinium Salts and Their Interaction with DNA
-
Martin, M. A.; del Castillo, B.; Lerner, D. A. Study of the Lumiescence Properties of a New Series of Quinolizinium Salts and Their Interaction with DNA Anal. Chim. Acta 1988, 205, 105-115 10.1016/S0003-2670(00)82320-X
-
(1988)
Anal. Chim. Acta
, vol.205
, pp. 105-115
-
-
Martin, M.A.1
Del Castillo, B.2
Lerner, D.A.3
-
51
-
-
84962371666
-
-
PerkinElmer: Waltham, MA
-
ChemBioDraw Ultra 11.0; PerkinElmer: Waltham, MA, 2008.
-
(2008)
ChemBioDraw Ultra 11.0
-
-
-
52
-
-
33646855259
-
-
Release 8.5; Accelrys Inc. San Diego
-
Pipeline Pilot, Release 8.5; Accelrys Inc.: San Diego, 2011.
-
(2011)
Pipeline Pilot
-
-
-
53
-
-
84962371660
-
-
version 2.3.2; OpenEye Scientific Software: Sante FE, NM.
-
OMEGA, version 2.3.2; OpenEye Scientific Software: Sante FE, NM; http://www.eyesopen.com.
-
OMEGA
-
-
-
54
-
-
77951986384
-
Conformer Generation with OMEGA: Algorithm and Validation Using High Quality Structures from the Protein Databank and Cambridge Structural Database
-
Hawkins, P. C.; Skillman, A. G.; Warren, G. L.; Ellingson, B. A.; Stahl, M. T. Conformer Generation with OMEGA: Algorithm and Validation Using High Quality Structures from the Protein Databank and Cambridge Structural Database J. Chem. Inf. Model. 2010, 50, 572-584 10.1021/ci100031x
-
(2010)
J. Chem. Inf. Model.
, vol.50
, pp. 572-584
-
-
Hawkins, P.C.1
Skillman, A.G.2
Warren, G.L.3
Ellingson, B.A.4
Stahl, M.T.5
-
55
-
-
84869987609
-
Conformer Generation with OMEGA: Learning from the Data Set and the Analysis of Failures
-
Hawkins, P. C.; Nicholls, A. Conformer Generation with OMEGA: Learning from the Data Set and the Analysis of Failures J. Chem. Inf. Model. 2012, 52, 2919-2936 10.1021/ci300314k
-
(2012)
J. Chem. Inf. Model.
, vol.52
, pp. 2919-2936
-
-
Hawkins, P.C.1
Nicholls, A.2
-
56
-
-
84862192766
-
ChEMBL: A Large-Scale Bioactivity Database for Drug Discovery
-
Gaulton, A.; Bellis, L. J.; Bento, A. P.; Chambers, J.; Davies, M.; Hersey, A.; Light, Y.; McGlinchey, S.; Michalovich, D.; Al-Lazikani, B.; Overington, J. P. ChEMBL: A Large-Scale Bioactivity Database for Drug Discovery Nucleic Acids Res. 2012, 40, D1100-D1107 10.1093/nar/gkr777
-
(2012)
Nucleic Acids Res.
, vol.40
, pp. D1100-D1107
-
-
Gaulton, A.1
Bellis, L.J.2
Bento, A.P.3
Chambers, J.4
Davies, M.5
Hersey, A.6
Light, Y.7
McGlinchey, S.8
Michalovich, D.9
Al-Lazikani, B.10
Overington, J.P.11
-
57
-
-
84962407838
-
-
accessed May 16
-
chembl-15-release-notes. ftp://ftp.ebi.ac.uk/pub/databases/chembl/ChEMBLdb/releases/chembl-15/ (accessed May 16, 2013).
-
(2013)
-
-
-
58
-
-
77952618924
-
Predicting Cyclooxygenase Inhibition by Three-Dimensional Pharmacophoric Profiling. Part I: Model Generation, Validation and Applicability in Ethnopharmacology
-
Schuster, D.; Waltenberger, B.; Kirchmair, J.; Distinto, S.; Markt, P.; Stuppner, H.; Rollinger, J. M.; Wolber, G. Predicting Cyclooxygenase Inhibition by Three-Dimensional Pharmacophoric Profiling. Part I: Model Generation, Validation and Applicability in Ethnopharmacology Mol. Inf. 2010, 29, 75-86 10.1002/minf.200900071
-
(2010)
Mol. Inf.
, vol.29
, pp. 75-86
-
-
Schuster, D.1
Waltenberger, B.2
Kirchmair, J.3
Distinto, S.4
Markt, P.5
Stuppner, H.6
Rollinger, J.M.7
Wolber, G.8
-
59
-
-
17144385534
-
Virtual Screening Workflow Development Guided by the "receiver Operating Characteristic" Curve Approach. Application to High-Throughput Docking on Metabotropic Glutamate Receptor Subtype 4
-
Triballeau, N.; Acher, F.; Brabet, I.; Pin, J.-P.; Bertrand, H.-O. Virtual Screening Workflow Development Guided by the "Receiver Operating Characteristic" Curve Approach. Application to High-Throughput Docking on Metabotropic Glutamate Receptor Subtype 4 J. Med. Chem. 2005, 48, 2534-2547 10.1021/jm049092j
-
(2005)
J. Med. Chem.
, vol.48
, pp. 2534-2547
-
-
Triballeau, N.1
Acher, F.2
Brabet, I.3
Pin, J.-P.4
Bertrand, H.-O.5
-
60
-
-
84899887586
-
Endocrine Disruptome - An Open Source Prediction Tool for Assessing Endocrine Disruption Potential Through Nuclear Receptor Binding
-
Kolšek, K.; Mavri, J.; Sollner Dolenc, M.; Gobec, S.; Turk, S. Endocrine Disruptome-An Open Source Prediction Tool for Assessing Endocrine Disruption Potential Through Nuclear Receptor Binding J. Chem. Inf. Model. 2014, 54, 1254-1267 10.1021/ci400649p
-
(2014)
J. Chem. Inf. Model.
, vol.54
, pp. 1254-1267
-
-
Kolšek, K.1
Mavri, J.2
Sollner Dolenc, M.3
Gobec, S.4
Turk, S.5
-
61
-
-
0036582707
-
High Throughput Measurement of Duplex, Triplex and Quadruplex Melting Curves Using Molecular Beacons and a LightCycler
-
Darby, R. A. J.; Sollogoub, M.; McKeen, C.; Brown, L.; Risitano, A.; Brown, N.; Barton, C.; Brown, T.; Fox, K. R. High Throughput Measurement of Duplex, Triplex and Quadruplex Melting Curves Using Molecular Beacons and a LightCycler Nucleic Acids Res. 2002, 30, e39-e39 10.1093/nar/30.9.e39
-
(2002)
Nucleic Acids Res.
, vol.30
, pp. e39-e39
-
-
Darby, R.A.J.1
Sollogoub, M.2
McKeen, C.3
Brown, L.4
Risitano, A.5
Brown, N.6
Barton, C.7
Brown, T.8
Fox, K.R.9
-
62
-
-
0346996357
-
Improving Structure-Based Virtual Screening by Multivariate Analysis of Scoring Data
-
Jacobsson, M.; Lidén, P.; Stjernschantz, E.; Boström, H.; Norinder, U. Improving Structure-Based Virtual Screening by Multivariate Analysis of Scoring Data J. Med. Chem. 2003, 46, 5781-5789 10.1021/jm030896t
-
(2003)
J. Med. Chem.
, vol.46
, pp. 5781-5789
-
-
Jacobsson, M.1
Lidén, P.2
Stjernschantz, E.3
Boström, H.4
Norinder, U.5
|