-
1
-
-
0020532060
-
Isolation of a T-cell leukemia virus in acqired immune deficiency syndrome (AIDS)
-
Gallo, R. C.; Sarin, P. S.; Gelmann, E. P.; Robert-Guroff, M.; Richardson, E.; Kalyanaraman, V. S.; Mann, D.; Sidhu, G. D.; Stahl, R. E.; Zolla-Prazner, S.; Leibowitch, J.; Popovic, M. Isolation of a T-cell leukemia virus in acqired immune deficiency syndrome (AIDS). Science 1983, 220, 865-867.
-
(1983)
Science
, vol.220
, pp. 865-867
-
-
Gallo, R.C.1
Sarin, P.S.2
Gelmann, E.P.3
Robert-Guroff, M.4
Richardson, E.5
Kalyanaraman, V.S.6
Mann, D.7
Sidhu, G.D.8
Stahl, R.E.9
Zolla-Prazner, S.10
Leibowitch, J.11
Popovic, M.12
-
2
-
-
0020596551
-
Isolation of a T-lymphotropic retrovirus from a patient at risk for acquired immune deficiency syndrome (AIDS)
-
Barre-Sinoussi, F.; Chermann, J. C.; Key, F.; Nugeyre, M. T.; Chamaret, S.; Gruest, J.; Dauguet, C.; Axler-Blin, C.; Vezinet-Brun, F.; Rouzioux, C.; Rozenbaum, W.; Montagnier, L. Isolation of a T-lymphotropic retrovirus from a patient at risk for acquired immune deficiency syndrome (AIDS). Science 1983, 220, 868-871.
-
(1983)
Science
, vol.220
, pp. 868-871
-
-
Barre-Sinoussi, F.1
Chermann, J.C.2
Key, F.3
Nugeyre, M.T.4
Chamaret, S.5
Gruest, J.6
Dauguet, C.7
Axler-Blin, C.8
Vezinet-Brun, F.9
Rouzioux, C.10
Rozenbaum, W.11
Montagnier, L.12
-
3
-
-
0027179491
-
Present status and future prospects for HIV therapies
-
Johnston, M. I.; Hoth, D. F. Present status and future prospects for HIV therapies. Science 1993, 260, 1286-1293.
-
(1993)
Science
, vol.260
, pp. 1286-1293
-
-
Johnston, M.I.1
Hoth, D.F.2
-
4
-
-
0025987078
-
Antiretroviral therapy of human immunodeficiency virus infection: Current strategies and challenges for the future
-
Yarchoan, R.; Pluda, J. M.; Perno, C.-F.; Mitsuya, H.; Broder, S. Antiretroviral therapy of human immunodeficiency virus infection: current strategies and challenges for the future. Blood 1991, 78, 859-884.
-
(1991)
Blood
, vol.78
, pp. 859-884
-
-
Yarchoan, R.1
Pluda, J.M.2
Perno, C.-F.3
Mitsuya, H.4
Broder, S.5
-
5
-
-
0002915381
-
Retroviruses
-
Berg, D., Howe, M., Eds.; American Society of Microbiology: Washington, DC
-
Varmus, H.; Brown, P. Retroviruses. In Mobile DNA; Berg, D., Howe, M., Eds.; American Society of Microbiology: Washington, DC, 1989; pp 53-108.
-
(1989)
Mobile DNA
, pp. 53-108
-
-
Varmus, H.1
Brown, P.2
-
7
-
-
0027102597
-
Genetics of retroviral integration
-
Goff, S. P. Genetics of retroviral integration. Annu. Rev. Genet. 1992, 26, 527-544.
-
(1992)
Annu. Rev. Genet.
, vol.26
, pp. 527-544
-
-
Goff, S.P.1
-
8
-
-
0027508068
-
The human immunodeficiency virus integrase protein
-
Vink, C.; Plasterk, R. H. A. The human immunodeficiency virus integrase protein. Trends Genet. 1993, 9, 433-437.
-
(1993)
Trends Genet.
, vol.9
, pp. 433-437
-
-
Vink, C.1
Plasterk, R.H.A.2
-
9
-
-
0026637378
-
Hotspots and Warm Spots: Integration Specificity of Retroelements
-
Craigie, R. Hotspots and Warm Spots: Integration Specificity of Retroelements. Trends Genet. 1992, 8, 187-190.
-
(1992)
Trends Genet.
, vol.8
, pp. 187-190
-
-
Craigie, R.1
-
10
-
-
0026459411
-
Requirement of active human immunodeficiency virus type 1 integrase enzyme for productive infection of human T-lymphoid cells
-
LaFemina, R. L.; Schneider, C. L.; Robibins, H. L.; Callahan, P. L.; LeGrow, K.; Roth, E.; Schleif, W. A.; Emini, E. A. Requirement of active human immunodeficiency virus type 1 integrase enzyme for productive infection of human T-lymphoid cells. J. Virol. 1992, 66, 7414-7419.
-
(1992)
J. Virol.
, vol.66
, pp. 7414-7419
-
-
LaFemina, R.L.1
Schneider, C.L.2
Robibins, H.L.3
Callahan, P.L.4
LeGrow, K.5
Roth, E.6
Schleif, W.A.7
Emini, E.A.8
-
11
-
-
0027526591
-
Integration is essential for efficient gene expression of human immunodeficiency virus type 1
-
Sakai, H.; Kawamura, M.; Sakuragi, J.; Sakuragi, S.; Shibata, R.; Ishimoto, A.; Ono, N.; Veda, S.; Adachi, A. Integration is essential for efficient gene expression of human immunodeficiency virus type 1. J. Virol. 1993, 67, 1169-1174.
-
(1993)
J. Virol.
, vol.67
, pp. 1169-1174
-
-
Sakai, H.1
Kawamura, M.2
Sakuragi, J.3
Sakuragi, S.4
Shibata, R.5
Ishimoto, A.6
Ono, N.7
Veda, S.8
Adachi, A.9
-
12
-
-
0027457192
-
Inhibitors of human immunodeficiency virus integrase
-
Fesen, M. R.; Kohn, K. W.; Leteurtre, F.; Pommier, Y. Inhibitors of human immunodeficiency virus integrase. Proc. Natl. Acad. Sci. U.S.A. 1993, 90, 2399-2403.
-
(1993)
Proc. Natl. Acad. Sci. U.S.A.
, vol.90
, pp. 2399-2403
-
-
Fesen, M.R.1
Kohn, K.W.2
Leteurtre, F.3
Pommier, Y.4
-
13
-
-
0028070994
-
Inhibition of HIV-1 integrase by flavones, Caffeic Acid Phenethyl Ester (CAPE) and related compounds
-
Fesen, M.; Pommier, Y.; Leteurtre, F.; Hiroguchi, S.; Yung, J.; Kohn, K. W. Inhibition of HIV-1 integrase by flavones, Caffeic Acid Phenethyl Ester (CAPE) and related compounds. Biochem. Pharmacol. 1994, 48, 595-608.
-
(1994)
Biochem. Pharmacol.
, vol.48
, pp. 595-608
-
-
Fesen, M.1
Pommier, Y.2
Leteurtre, F.3
Hiroguchi, S.4
Yung, J.5
Kohn, K.W.6
-
14
-
-
0026659014
-
Inhibition of HIV-1 integration protein by aurintricarboxylic acid monomers, monomer analogs, and polymer fractions
-
Cushman, M.; Sherman, P. Inhibition of HIV-1 integration protein by aurintricarboxylic acid monomers, monomer analogs, and polymer fractions. Biochem. Biophys. Res. Commun. 1992, 185, 85-90.
-
(1992)
Biochem. Biophys. Res. Commun.
, vol.185
, pp. 85-90
-
-
Cushman, M.1
Sherman, P.2
-
15
-
-
0027222149
-
Inhibitory effect of the polyanionic drug suramin on the in vitro HIV DNA integration reaction
-
Carteau, S.; Mouscadet, J. F.; Goulaouic, H.; Subra, F.; Auclair, C. Inhibitory effect of the polyanionic drug suramin on the in vitro HIV DNA integration reaction. Arch. Biochem. Biophys. 1993, 305, 606-610.
-
(1993)
Arch. Biochem. Biophys.
, vol.305
, pp. 606-610
-
-
Carteau, S.1
Mouscadet, J.F.2
Goulaouic, H.3
Subra, F.4
Auclair, C.5
-
16
-
-
0028928463
-
Inhibition of human immunodeficiency virus type-1 integrase by curcumin
-
Mazumder, A.; Raghavan, K.; Weinstein, J.; Kohn, K. W.; Pommier, Y. Inhibition of human immunodeficiency virus type-1 integrase by curcumin. Biochem. Pharmacol. 1995, 49, 1165-1170.
-
(1995)
Biochem. Pharmacol.
, vol.49
, pp. 1165-1170
-
-
Mazumder, A.1
Raghavan, K.2
Weinstein, J.3
Kohn, K.W.4
Pommier, Y.5
-
17
-
-
0029065930
-
Cosalane analogs with enhanced potencies as inhibitors of HIV-1 protease and integrase
-
Cushman, M.; Golebiewski, W. M.; Pommier, Y.; Mazumder, A.; Reymen, D.; De Clerq, E.; Graham, L.; Rice, W. G. Cosalane analogs with enhanced potencies as inhibitors of HIV-1 protease and integrase. J. Med. Chem. 1995, 38, 443-452.
-
(1995)
J. Med. Chem.
, vol.38
, pp. 443-452
-
-
Cushman, M.1
Golebiewski, W.M.2
Pommier, Y.3
Mazumder, A.4
Reymen, D.5
De Clerq, E.6
Graham, L.7
Rice, W.G.8
-
18
-
-
0029062402
-
Inhibition of human immunodeficiency virus type 1 integrase by a hydrophobie cation: The phenanthroline-cuprous complex
-
Mazumder, A.; Gupta, M.; Perrin, D. M.; Sigman, D. S.; Rabinovitz, M.; Pommier, Y. Inhibition of human immunodeficiency virus type 1 integrase by a hydrophobie cation: the phenanthroline-cuprous complex. AIDS Res. Hum. Retroviruses 1995, 11, 115-125.
-
(1995)
AIDS Res. Hum. Retroviruses
, vol.11
, pp. 115-125
-
-
Mazumder, A.1
Gupta, M.2
Perrin, D.M.3
Sigman, D.S.4
Rabinovitz, M.5
Pommier, Y.6
-
19
-
-
0028820595
-
Effects of Tyrphostins, Protein Kinase Inhibitors, on Human Immunodeficiency Virus Type 1 Integrase
-
Mazumder, A.; Gazit, A.; Levitzki, A.; Nicklaus, M.; Yung, J.; Kohlhagen, G.; Pommier, Y. Effects of Tyrphostins, Protein Kinase Inhibitors, on Human Immunodeficiency Virus Type 1 Integrase. Biochemistry 1995, 34, 15111-15122.
-
(1995)
Biochemistry
, vol.34
, pp. 15111-15122
-
-
Mazumder, A.1
Gazit, A.2
Levitzki, A.3
Nicklaus, M.4
Yung, J.5
Kohlhagen, G.6
Pommier, Y.7
-
20
-
-
0028242724
-
Inhibition of human immunodeficiency virus type 1 integrase by 3′-azido-3′-deoxythymidylate
-
Mazumder, A.; Cooney, D.; Agbaria, R.; Gupta, M.; Pommier, Y. Inhibition of human immunodeficiency virus type 1 integrase by 3′-azido-3′-deoxythymidylate. Proc. Natl. Acad. Sci. U.S.A. 1994, 91, 5771-5775.
-
(1994)
Proc. Natl. Acad. Sci. U.S.A.
, vol.91
, pp. 5771-5775
-
-
Mazumder, A.1
Cooney, D.2
Agbaria, R.3
Gupta, M.4
Pommier, Y.5
-
21
-
-
0028798026
-
Inhibition of human immunodeficiency virus integrase by bis-catechols
-
LaFemina, R. A.; Graham, P. L.; Legrow, K.; Hastings, J. C.; Wolfe, A.; Young, S. D.; Emini, E. A.; Hazuda, D. J. Inhibition of human immunodeficiency virus integrase by bis-catechols. Antimicrob. Agents Chemother. 1995, 39, 320-324.
-
(1995)
Antimicrob. Agents Chemother.
, vol.39
, pp. 320-324
-
-
LaFemina, R.A.1
Graham, P.L.2
Legrow, K.3
Hastings, J.C.4
Wolfe, A.5
Young, S.D.6
Emini, E.A.7
Hazuda, D.J.8
-
22
-
-
0027227754
-
Effect of the topoisomerase inhibitors on the in vitro HIV DNA integration reaction
-
Carteau, S.; Mouscadet, J. F.; Goul Goulaouic, H.; Subra, F.; Auclair, C. Effect of the topoisomerase inhibitors on the in vitro HIV DNA integration reaction. Biochem. Biophys. Res. Commun. 1993, 192, 1409-1414.
-
(1993)
Biochem. Biophys. Res. Commun.
, vol.192
, pp. 1409-1414
-
-
Carteau, S.1
Mouscadet, J.F.2
Goul Goulaouic, H.3
Subra, F.4
Auclair, C.5
-
23
-
-
0028020102
-
Methylphosphonodiester substitution near the conserved CA dinucleotide in the HIV LTR alters both extent of 3′-processing and choice of nucleophile by HIV-1 integrase
-
Mazumder, A.; Gupta, M.; Pommier, Y. Methylphosphonodiester substitution near the conserved CA dinucleotide in the HIV LTR alters both extent of 3′-processing and choice of nucleophile by HIV-1 integrase. Nucleic Acids Res. 1994, 22, 4441-4448.
-
(1994)
Nucleic Acids Res.
, vol.22
, pp. 4441-4448
-
-
Mazumder, A.1
Gupta, M.2
Pommier, Y.3
-
24
-
-
0028824133
-
Hydroxylated aromatic inhibitors of HIV-1 integrase
-
Burke, T. R.; Fesen, M. R.; Mazumder, A.; Wang, J.; Carothers, A. M.; Grunberger, D.; Driscoll, J.; Kohn, K.; Pommier, Y. Hydroxylated aromatic inhibitors of HIV-1 integrase. J. Med. Chem. 1995, 38, 4171-4178.
-
(1995)
J. Med. Chem.
, vol.38
, pp. 4171-4178
-
-
Burke, T.R.1
Fesen, M.R.2
Mazumder, A.3
Wang, J.4
Carothers, A.M.5
Grunberger, D.6
Driscoll, J.7
Kohn, K.8
Pommier, Y.9
-
25
-
-
0026693490
-
In Vitro anti-HIV activity of lignans-differential inhibition of HIV-1 integrase reaction, topoisomerase activity and cellular microtubules
-
Pfeifer, K.; Merz, H.; Steffen, R.; Mueller, W. E. G.; Trumm, S.; Schulz, J.; Eich, E.; Schroeder, H. C. In Vitro anti-HIV activity of lignans-differential inhibition of HIV-1 integrase reaction, topoisomerase activity and cellular microtubules. J. Pharm. Med. 1992, 2, 75-97.
-
(1992)
J. Pharm. Med.
, vol.2
, pp. 75-97
-
-
Pfeifer, K.1
Merz, H.2
Steffen, R.3
Mueller, W.E.G.4
Trumm, S.5
Schulz, J.6
Eich, E.7
Schroeder, H.C.8
-
26
-
-
0030041593
-
(-)-Arctigenin as a lead structure for inhibitors of human immunodeficiency virus type-1 integrase
-
Eich, E.; Pertz, H.; Kaloga, M.; Schulz, J.; Fesen, M. R.; Mazumder, A.; Pommier, Y. (-)-Arctigenin as a lead structure for inhibitors of human immunodeficiency virus type-1 integrase. J. Med. Chem. 1996, 39, 86-95.
-
(1996)
J. Med. Chem.
, vol.39
, pp. 86-95
-
-
Eich, E.1
Pertz, H.2
Kaloga, M.3
Schulz, J.4
Fesen, M.R.5
Mazumder, A.6
Pommier, Y.7
-
27
-
-
2642685126
-
Inhibitors of HIV-1 replication that inhibit HIV integrase
-
Robinson, W. E.; Reinecke, M. G.; Abdel-Malek, S.; Jia, Q. and Chow, S. A. Inhibitors of HIV-1 replication that inhibit HIV integrase. Proc. Natl. Acad. Sci. U.S.A. 1996, 93, 6326-6331.
-
(1996)
Proc. Natl. Acad. Sci. U.S.A.
, vol.93
, pp. 6326-6331
-
-
Robinson, W.E.1
Reinecke, M.G.2
Abdel-Malek, S.3
Jia, Q.4
Chow, S.A.5
-
28
-
-
0031013534
-
Coumarin-Based Inhibitors of HIV Integrase
-
Zhao, H.; Neamati, N.; Hong, H.; Mazumder, A.; Wang, S.; Sunder, S.; Milne, G. W. A.; Pommier, Y.; Burke, T. R. Coumarin-Based Inhibitors of HIV Integrase. J. Med. Chem. 1997, 40, 242-249.
-
(1997)
J. Med. Chem.
, vol.40
, pp. 242-249
-
-
Zhao, H.1
Neamati, N.2
Hong, H.3
Mazumder, A.4
Wang, S.5
Sunder, S.6
Milne, G.W.A.7
Pommier, Y.8
Burke, T.R.9
-
29
-
-
15844424316
-
Antiretroviral agents as inhibitors of both human immunodeficiency virus type 1 integrase and protease
-
Mazumder, A.; Wang, S.; Neamati, N.; Nieklaus, M.; Sunder, S.; Chen, J.; Milne, G. W. A.; Rice, W. G.; Pommier, Y. Antiretroviral agents as inhibitors of both human immunodeficiency virus type 1 integrase and protease. J. Med. Chem. 1996, 39, 2472-2481.
-
(1996)
J. Med. Chem.
, vol.39
, pp. 2472-2481
-
-
Mazumder, A.1
Wang, S.2
Neamati, N.3
Nieklaus, M.4
Sunder, S.5
Chen, J.6
Milne, G.W.A.7
Rice, W.G.8
Pommier, Y.9
-
30
-
-
0026642983
-
3D database searching in drug design
-
Martin, Y. C. 3D database searching in drug design. J. Med. Chem. 1992, 35, 2145-2154.
-
(1992)
J. Med. Chem.
, vol.35
, pp. 2145-2154
-
-
Martin, Y.C.1
-
31
-
-
85050542952
-
Searching databases of three-dimensional structures
-
Lipkowitz, K. B., Boyd, D. B., Eds.; VCH Publishers: New York
-
Martin, Y. C.; Bures, M. G.; Willett, P. Searching databases of three-dimensional structures. In Review in Computational Chemistry; Lipkowitz, K. B., Boyd, D. B., Eds.; VCH Publishers: New York, 1990; pp 213-263.
-
(1990)
Review in Computational Chemistry
, pp. 213-263
-
-
Martin, Y.C.1
Bures, M.G.2
Willett, P.3
-
32
-
-
0004976810
-
Searching for pharmacophores in large coordinate data bases and its use in drug design
-
Sheridan, R. P.; Rusinko, A.; Nilakantan, R.; Venkataraghavan, R. Searching for pharmacophores in large coordinate data bases and its use in drug design. Proc. Natl. Acad. Sci. U.S.A. 1989, 86, 8165-8169.
-
(1989)
Proc. Natl. Acad. Sci. U.S.A.
, vol.86
, pp. 8165-8169
-
-
Sheridan, R.P.1
Rusinko, A.2
Nilakantan, R.3
Venkataraghavan, R.4
-
33
-
-
0025054246
-
Structure-based design of nonpeptide inhibitors specific for the human immunodeficiency virus 1 protease
-
DesJarlais, R. L.; Seibel, G. L.; Kuntz, I. D.; Furth, P. S.; Alvarez, J. C.; Oritz De Montellano, P. R.; DeCamp, D. L.; Babe, L. M.; Craik, C. S. Structure-based design of nonpeptide inhibitors specific for the human immunodeficiency virus 1 protease. Proc. Natl. Acad. Sci. U.S.A. 1990, 87, 6644-6648.
-
(1990)
Proc. Natl. Acad. Sci. U.S.A.
, vol.87
, pp. 6644-6648
-
-
DesJarlais, R.L.1
Seibel, G.L.2
Kuntz, I.D.3
Furth, P.S.4
Alvarez, J.C.5
Oritz De Montellano, P.R.6
DeCamp, D.L.7
Babe, L.M.8
Craik, C.S.9
-
34
-
-
0041786443
-
Using three-dimensional substructure searching to identify novel, nonpeptide inhibitors of HIV-1 protease
-
Bures, M. G.; Hutchins, C. W.; Maus, M.; Kohlbrenner, W.; Kadam, S.; Erichson, J. W. Using three-dimensional substructure searching to identify novel, nonpeptide inhibitors of HIV-1 protease. Tetrahedron Comput. Methodol. 1990, 3, 673-680.
-
(1990)
Tetrahedron Comput. Methodol.
, vol.3
, pp. 673-680
-
-
Bures, M.G.1
Hutchins, C.W.2
Maus, M.3
Kohlbrenner, W.4
Kadam, S.5
Erichson, J.W.6
-
35
-
-
0028057975
-
Rational design of potent, bioavailable, nonpeptide cyclic ureas as HIV protease inhibitors
-
Lam, P. Y. S.; Jadhav, P. K.; Eyermann, C. J.; Hodge, C. N.; Ru, Y.; Bacheler, L. T.; Meek, J. L.; Otto, M. J.; Rayner, M. M.; Wong, Y. N.; Chang, C. H.; Weber, P. C.; Jackson, D. A.; Sharpe, T. R.; Erickson-Viitanen, S. Rational design of potent, bioavailable, nonpeptide cyclic ureas as HIV protease inhibitors. Science 1994, 263, 380-384.
-
(1994)
Science
, vol.263
, pp. 380-384
-
-
Lam, P.Y.S.1
Jadhav, P.K.2
Eyermann, C.J.3
Hodge, C.N.4
Ru, Y.5
Bacheler, L.T.6
Meek, J.L.7
Otto, M.J.8
Rayner, M.M.9
Wong, Y.N.10
Chang, C.H.11
Weber, P.C.12
Jackson, D.A.13
Sharpe, T.R.14
Erickson-Viitanen, S.15
-
36
-
-
0028501715
-
The NCI Drug Information System 3D Database
-
Milne, G. W. A.; Nicklaus, M. C.; Driscoll, J. S.; Wang, S.; Zaharevitz, D. W. The NCI Drug Information System 3D Database. J. Chem. Inf. Comput. Sci. 1994, 34, 1219-1224.
-
(1994)
J. Chem. Inf. Comput. Sci.
, vol.34
, pp. 1219-1224
-
-
Milne, G.W.A.1
Nicklaus, M.C.2
Driscoll, J.S.3
Wang, S.4
Zaharevitz, D.W.5
-
37
-
-
0022812770
-
The NCI Drug Information System. Parts 1-6
-
The National Cancer Institute Drug Information System was designed and built by NCI; see: Milne, G. W. A.; Miller, J. A.; et al. The NCI Drug Information System. Parts 1-6. J. Chem. Inf. Comput. Sci. 1986, 26, 154-197.
-
(1986)
J. Chem. Inf. Comput. Sci.
, vol.26
, pp. 154-197
-
-
Milne, G.W.A.1
Miller, J.A.2
-
38
-
-
14444277933
-
-
note
-
Chem-X is provided by Chemical Design Ltd., Roundway House, Cromwell Park, Chipping Norton, Oxon OX7 5SR, U.K. Chem-Model is the model builder module in Chem-X. ChemDBS-3D is the 3D database build and search module in Chem-X.
-
-
-
-
39
-
-
0028466540
-
Comparison of Automatic Three-Dimensional Model Builders Using 639 X-Ray Structures
-
Sadowski, J.; Gasteiger, J.; Klebe, G. Comparison of Automatic Three-Dimensional Model Builders Using 639 X-Ray Structures. J. Chem. Inf. Comput. Sci. 1994, 34, 1000-1008.
-
(1994)
J. Chem. Inf. Comput. Sci.
, vol.34
, pp. 1000-1008
-
-
Sadowski, J.1
Gasteiger, J.2
Klebe, G.3
-
40
-
-
0028568707
-
The Discovery of novel, structurally diverse protein kinase C agonists through computer 3D-database search. Molecular modeling studies
-
Wang, S.; Zaharevitz, D. W.; Sharma, R.; Marquez, V. E.; Lewin, N. E.; Du, L.; Blumberg, P. M.; Milne, G. W. A. The Discovery of novel, structurally diverse protein kinase C agonists through computer 3D-database search. Molecular modeling studies. J. Med. Chem. 1994, 37, 4479-4489.
-
(1994)
J. Med. Chem.
, vol.37
, pp. 4479-4489
-
-
Wang, S.1
Zaharevitz, D.W.2
Sharma, R.3
Marquez, V.E.4
Lewin, N.E.5
Du, L.6
Blumberg, P.M.7
Milne, G.W.A.8
-
41
-
-
0029984203
-
Discovery of novel, non-peptide HIV-1 protease inhibitors by pharmaeophore searching
-
Wang, S.; Milne, G. W. A.; Yan, X.; Posey, I.; Nicklaus, M. C.; Graham, L.; Rice, W. G. Discovery of novel, non-peptide HIV-1 protease inhibitors by pharmaeophore searching. J. Med. Chem. 1996, 39, 2047-2054.
-
(1996)
J. Med. Chem.
, vol.39
, pp. 2047-2054
-
-
Wang, S.1
Milne, G.W.A.2
Yan, X.3
Posey, I.4
Nicklaus, M.C.5
Graham, L.6
Rice, W.G.7
-
42
-
-
0030891601
-
HIV-1 Integrase Pharmaeophore: Discovery of Inhibitors Through Three-Dimensional Database Searching
-
Nicklaus, M. C.; Neamati, N.; Hong, H.; Mazumder, A.; Sunder, S.; Chen, J.; Milne, G. W. A.; Pommier, Y. HIV-1 Integrase Pharmaeophore: Discovery of Inhibitors Through Three-Dimensional Database Searching. J. Med. Chem. 1997, 40, 920-929.
-
(1997)
J. Med. Chem.
, vol.40
, pp. 920-929
-
-
Nicklaus, M.C.1
Neamati, N.2
Hong, H.3
Mazumder, A.4
Sunder, S.5
Chen, J.6
Milne, G.W.A.7
Pommier, Y.8
-
43
-
-
14444280103
-
-
note
-
Most of the 152 compounds in the validation database have been previously published. For references, see ref 42. Structures are available as Supporting Information to ref 42.
-
-
-
-
44
-
-
14444268477
-
-
note
-
Compounds which are provided to NCI upon a confidential basis are called "discreet", and all data associated with "discreet" compounds are restricted. Compounds which are provided without conditions or restrictions are called "open", and all data associated with "open" compounds are publicly accessible.
-
-
-
-
45
-
-
14444278485
-
-
note
-
QUANTA/CHARMm, a molecular modeling system, is supplied by Molecular Simulations Inc., 9685 Scranton Rd, San Diego, CA 92121-3752.
-
-
-
-
46
-
-
84986512474
-
CHARMm: A program for macromolecular energy minimization and dynamics calculations
-
Brooks, B. R.; Bruccoleri, R. E.; Olafson, B. D.; States, D. J.; Swaminathan, S.; Karplus, M. CHARMm: A program for macromolecular energy minimization and dynamics calculations. J. Comput. Chem. 1983, 4, 187-217.
-
(1983)
J. Comput. Chem.
, vol.4
, pp. 187-217
-
-
Brooks, B.R.1
Bruccoleri, R.E.2
Olafson, B.D.3
States, D.J.4
Swaminathan, S.5
Karplus, M.6
-
47
-
-
0028584269
-
Crystal structure of the catalytic domain of HIV-1 integrase: Similarity to other polynucleotidyl transferases
-
Dyda, F.; Hickman, A. B.; Jenkins, T. M.; Engelman, A.; Craigie, R.; Davies, D. R. Crystal structure of the catalytic domain of HIV-1 integrase: Similarity to other polynucleotidyl transferases. Science 1994, 266, 1981-1986.
-
(1994)
Science
, vol.266
, pp. 1981-1986
-
-
Dyda, F.1
Hickman, A.B.2
Jenkins, T.M.3
Engelman, A.4
Craigie, R.5
Davies, D.R.6
-
48
-
-
0029025224
-
Conformational Changes of Small Molecules Binding to Proteins
-
Nicklaus, M. C.; Wang, S.; Driscoll, J. D.; Milne, G. W. A. Conformational Changes of Small Molecules Binding to Proteins. Bioorg. Med. Chem. 1995, 3, 411-428.
-
(1995)
Bioorg. Med. Chem.
, vol.3
, pp. 411-428
-
-
Nicklaus, M.C.1
Wang, S.2
Driscoll, J.D.3
Milne, G.W.A.4
-
49
-
-
14444267280
-
-
note
-
-6 for six distances, or less than one compound out of the 200 000 on average. Sampling the Conformational space of each compound in the database with smaller torsion angle steps during the search and/or build phases (not usually feasible, however, for reasons of computation time) might help increase the hit rates to some extent, but obvious geometrical boundary conditions will always pose an upper limit to the number of simultaneously fulfilled distance constraints. We do not take this to prove that no compound can ever attach to its protein binding site through more than three (noncovalent) attachment points but, rather, that the NCI 3D database, in spite of its size, covers the entire universe of possible compounds only in a sparse manner.
-
-
-
-
50
-
-
0030946320
-
Hydrazide-Containing Inhibitors of HIV-1 Integrase
-
Zhao, H.; Neamati, N.; Hong, H.; Milne, G. W. A.; Pommier, Y.; Burke, T. R., Jr. Hydrazide-Containing Inhibitors of HIV-1 Integrase. J. Med. Chem. 1997, 40, 937-941.
-
(1997)
J. Med. Chem.
, vol.40
, pp. 937-941
-
-
Zhao, H.1
Neamati, N.2
Hong, H.3
Milne, G.W.A.4
Pommier, Y.5
Burke Jr., T.R.6
-
51
-
-
14444283566
-
-
note
-
The 2D structures entered in the NCI DIS database are those provided by the supplier of the samples to the NCI cancer screening program. Because of the volume of compounds entered (ca. 20 000/year), NCI does not conduct structural analysis of the samples submitted.
-
-
-
-
52
-
-
0029973374
-
Molecular Modeling and Site-Directed Mutagenesis Studies of a Phorbol Ester-Binding Site in Protein Kinase C
-
Wang, S.; Kazanietz, M. G.; Blumberg, P. M.; Marquez, V. E.; Milne, G. W. A. Molecular Modeling and Site-Directed Mutagenesis Studies of a Phorbol Ester-Binding Site in Protein Kinase C. J. Med. Chem. 1996, 39, 2541-2553.
-
(1996)
J. Med. Chem.
, vol.39
, pp. 2541-2553
-
-
Wang, S.1
Kazanietz, M.G.2
Blumberg, P.M.3
Marquez, V.E.4
Milne, G.W.A.5
|