-
1
-
-
0034059835
-
The HIV-1 reverse transcription (RT) process as target for RT inhibitors
-
Jonckheere H., Anne J., De Clercq E. (2000) The HIV-1 reverse transcription (RT) process as target for RT inhibitors. Med Res Rev 20 : 129 154.
-
(2000)
Med Res Rev
, vol.20
, pp. 129-154
-
-
Jonckheere, H.1
Anne, J.2
De Clercq, E.3
-
2
-
-
0029976422
-
Complexes of HIV-1 reverse transcriptase with inhibitors of the HEPT series reveal conformational changes relevant to the design of potent non-nucleoside inhibitors
-
Hopkins A.L., Ren J., Esnouf R.M., Willcox B.E., Jones E.Y., Ross C., Miyasaka T., Walker R.T., Tanaka H., Stammers D.K., Stuart D.I. (1996) Complexes of HIV-1 reverse transcriptase with inhibitors of the HEPT series reveal conformational changes relevant to the design of potent non-nucleoside inhibitors. J Med Chem 39 : 1589 1600.
-
(1996)
J Med Chem
, vol.39
, pp. 1589-1600
-
-
Hopkins, A.L.1
Ren, J.2
Esnouf, R.M.3
Willcox, B.E.4
Jones, E.Y.5
Ross, C.6
Miyasaka, T.7
Walker, R.T.8
Tanaka, H.9
Stammers, D.K.10
Stuart, D.I.11
-
3
-
-
10644268549
-
Anti-HIV drug development - An overview
-
Pereira C.F., Paridaen J.T. (2004) Anti-HIV drug development - an overview. Curr Pharm Des 10 : 4005 4037.
-
(2004)
Curr Pharm des
, vol.10
, pp. 4005-4037
-
-
Pereira, C.F.1
Paridaen, J.T.2
-
4
-
-
2442548462
-
Antiretrovirals, part 1: Overview, history, and focus on protease inhibitors
-
Wynn G.H., Zapor M.J., Smith B.H., Wortmann G., Oesterheld J.R., Armstrong S.C., Cozza K.L. (2004) Antiretrovirals, part 1: overview, history, and focus on protease inhibitors. Psychosomatics 45 : 262 270.
-
(2004)
Psychosomatics
, vol.45
, pp. 262-270
-
-
Wynn, G.H.1
Zapor, M.J.2
Smith, B.H.3
Wortmann, G.4
Oesterheld, J.R.5
Armstrong, S.C.6
Cozza, K.L.7
-
5
-
-
16544363881
-
Antiretrovirals, part II: Focus on non-protease inhibitor antiretrovirals (NRTIs, NNRTIs, and fusion inhibitors)
-
Zapor M.J., Cozza K.L., Wynn G.H., Wortmann G.W., Armstrong S.C. (2004) Antiretrovirals, part II: focus on non-protease inhibitor antiretrovirals (NRTIs, NNRTIs, and fusion inhibitors). Psychosomatics 45 : 524 535.
-
(2004)
Psychosomatics
, vol.45
, pp. 524-535
-
-
Zapor, M.J.1
Cozza, K.L.2
Wynn, G.H.3
Wortmann, G.W.4
Armstrong, S.C.5
-
6
-
-
38749083033
-
Synthesis and anti-HIV activity of GS-9148 (2'-Fd4AP), a novel nucleoside phosphonate HIV reverse transcriptase inhibitor
-
Boojamra C.G., Mackman R.L., Markevitch D.Y., Prasad V., Ray A.S., Douglas J., Grant D., Kim C.U., Cihlar T. (2008) Synthesis and anti-HIV activity of GS-9148 (2'-Fd4AP), a novel nucleoside phosphonate HIV reverse transcriptase inhibitor. Bioorg Med Chem Lett 18 : 1120 1123.
-
(2008)
Bioorg Med Chem Lett
, vol.18
, pp. 1120-1123
-
-
Boojamra, C.G.1
MacKman, R.L.2
Markevitch, D.Y.3
Prasad, V.4
Ray, A.S.5
Douglas, J.6
Grant, D.7
Kim, C.U.8
Cihlar, T.9
-
7
-
-
34249290103
-
Apricitabine: A novel deoxycytidine analogue nucleoside reverse transcriptase inhibitor for the treatment of nucleoside-resistant HIV infection
-
Wainberg M.A., Cahn P., Bethell R.C., Sawyer J., Cox S. (2007) Apricitabine: a novel deoxycytidine analogue nucleoside reverse transcriptase inhibitor for the treatment of nucleoside-resistant HIV infection. Antiviral Chem Chemother 18 : 61 70.
-
(2007)
Antiviral Chem Chemother
, vol.18
, pp. 61-70
-
-
Wainberg, M.A.1
Cahn, P.2
Bethell, R.C.3
Sawyer, J.4
Cox, S.5
-
8
-
-
34447314128
-
In vivo pharmacokinetics, metabolism, toxicity, and anti-HIV activity of N'-[2-(2-Thiophene)ethyl]-N'-[2-(5-bromopyridyl)]thiourea (HI-443), a potent non-nucleoside inhibitor of HIV reverse transcriptase
-
Uckun F.M., Tibbles H.E., Venkatachalam T.K., Erbeck D. (2007) In vivo pharmacokinetics, metabolism, toxicity, and anti-HIV activity of N'-[2-(2-Thiophene)ethyl]-N'-[2-(5-bromopyridyl)]thiourea (HI-443), a potent non-nucleoside inhibitor of HIV reverse transcriptase. Arzneim Forsch 57 : 483 496.
-
(2007)
Arzneim Forsch
, vol.57
, pp. 483-496
-
-
Uckun, F.M.1
Tibbles, H.E.2
Venkatachalam, T.K.3
Erbeck, D.4
-
9
-
-
44349131462
-
Non-nucleoside HIV-1 reverse transcriptase inhibitors. Part 11: Structural modulations of diaryltriazines with potent anti-HIV activity
-
Chem
-
Xiong Y.Z., Chen F.E., Balzarini J., De Clercq E., Pannecouque C. (2007) Non-nucleoside HIV-1 reverse transcriptase inhibitors. Part 11: structural modulations of diaryltriazines with potent anti-HIV activity. Eur J Med Chem 43 : 1230 1236.
-
(2007)
Eur J Med
, vol.43
, pp. 1230-1236
-
-
Xiong, Y.Z.1
Chen, F.E.2
Balzarini, J.3
De Clercq, E.4
Pannecouque, C.5
-
10
-
-
34447569299
-
Synthesis and biological evaluation of 2,3-diaryl substituted-1,3- thiazolidin-4-ones as anti-HIV agents
-
Rawal R.K., Tripathi R.K., Katti S.B., Pannecouque C., De Clercq E. (2007) Synthesis and biological evaluation of 2,3-diaryl substituted-1,3- thiazolidin-4-ones as anti-HIV agents. Med Chem 3 : 355 363.
-
(2007)
Med Chem
, vol.3
, pp. 355-363
-
-
Rawal, R.K.1
Tripathi, R.K.2
Katti, S.B.3
Pannecouque, C.4
De Clercq, E.5
-
11
-
-
34548388846
-
Synthesis of novel derivatives of 4-amino-3-(2-furyl)-5-mercapto-1,2,4- triazole as potential HIV-1 NNRTIs
-
Wu J., Liu X., Cheng X., Cao Y., Wang D., Li Z., Xu W., Pannecouque C., Witvrouw M., De Clercq E. (2007) Synthesis of novel derivatives of 4-amino-3-(2-furyl)-5-mercapto-1,2,4-triazole as potential HIV-1 NNRTIs. Molecules 12 : 2003 2016.
-
(2007)
Molecules
, vol.12
, pp. 2003-2016
-
-
Wu, J.1
Liu, X.2
Cheng, X.3
Cao, Y.4
Wang, D.5
Li, Z.6
Xu, W.7
Pannecouque, C.8
Witvrouw, M.9
De Clercq, E.10
-
12
-
-
25844445186
-
Computational studies and drug design for HIV-1 reverse transcriptase inhibitors of 3',4'-di-O-(S)-camphanoyl-(+)-cis-khellactone (DCK) analogs
-
Chen H.F., Fan B.T., Zhao C.Y., Xie L., Zhao C.H., Zhou T., Lee K.H., Allaway G. (2005) Computational studies and drug design for HIV-1 reverse transcriptase inhibitors of 3',4'-di-O-(S)-camphanoyl-(+)-cis-khellactone (DCK) analogs. J Comput Aided Mol Des 19 : 243 258.
-
(2005)
J Comput Aided Mol des
, vol.19
, pp. 243-258
-
-
Chen, H.F.1
Fan, B.T.2
Zhao, C.Y.3
Xie, L.4
Zhao, C.H.5
Zhou, T.6
Lee, K.H.7
Allaway, G.8
-
13
-
-
0037367636
-
New antiretroviral drugs
-
Gulick R.M. (2003) New antiretroviral drugs. Clin Microbiol Infect 9 : 186 193.
-
(2003)
Clin Microbiol Infect
, vol.9
, pp. 186-193
-
-
Gulick, R.M.1
-
14
-
-
0036846898
-
New anti-HIV agents and targets
-
De Clercq E. (2002) New anti-HIV agents and targets. Med Res Rev 22 : 531 565.
-
(2002)
Med Res Rev
, vol.22
, pp. 531-565
-
-
De Clercq, E.1
-
15
-
-
0034811498
-
Use of MM-PBSA in reproducing the binding free energies to HIV-1 RT of TIBO derivatives and predicting the binding mode to HIV-1 RT of efavirenz by docking and MM-PBSA
-
Wang J., Morin P., Wang W., Kollman P.A. (2001) Use of MM-PBSA in reproducing the binding free energies to HIV-1 RT of TIBO derivatives and predicting the binding mode to HIV-1 RT of efavirenz by docking and MM-PBSA. J Am Chem Soc 123 : 5221 5230.
-
(2001)
J Am Chem Soc
, vol.123
, pp. 5221-5230
-
-
Wang, J.1
Morin, P.2
Wang, W.3
Kollman, P.A.4
-
16
-
-
0028172345
-
Locations of anti-AIDS drug binding sites and resistance mutations in the three-dimensional structure of HIV-1 reverse transcriptase. Implications for mechanisms of drug inhibition and resistance
-
Tantillo C., Ding J., Jacobo-Molina A., Nanni R.G., Boyer P.L., Hughes S.H., Pauwels R., Andries K., Janssen P.A., Arnold E. (1994) Locations of anti-AIDS drug binding sites and resistance mutations in the three-dimensional structure of HIV-1 reverse transcriptase. Implications for mechanisms of drug inhibition and resistance. J Mol Biol 243 : 369 387.
-
(1994)
J Mol Biol
, vol.243
, pp. 369-387
-
-
Tantillo, C.1
Ding, J.2
Jacobo-Molina, A.3
Nanni, R.G.4
Boyer, P.L.5
Hughes, S.H.6
Pauwels, R.7
Andries, K.8
Janssen, P.A.9
Arnold, E.10
-
17
-
-
17944366732
-
Evolution of anti-HIV drug candidates. Part 2: Diaryltriazine (DATA) analogues
-
Ludovici D.W., Kavash R.W., Kukla M.J., Ho C.Y., Ye H., De Corte B.L., Andries K. et al. (2001) Evolution of anti-HIV drug candidates. Part 2: Diaryltriazine (DATA) analogues. Bioorg Med Chem Lett 11 : 2229 2234.
-
(2001)
Bioorg Med Chem Lett
, vol.11
, pp. 2229-2234
-
-
Ludovici, D.W.1
Kavash, R.W.2
Kukla, M.J.3
Ho, C.Y.4
Ye, H.5
De Corte, B.L.6
Andries, K.7
-
18
-
-
2342620790
-
Roles of conformational and positional adaptability in structure-based design of TMC125-R165335 (etravirine) and related non-nucleoside reverse transcriptase inhibitors that are highly potent and effective against wild-type and drug-resistant HIV-1 variants
-
Das K., Clark A.D. Jr., Lewi P.J., Heeres J., De Jonge M.R., Koymans L.M., Vinkers H.M. et al. (2004) Roles of conformational and positional adaptability in structure-based design of TMC125-R165335 (etravirine) and related non-nucleoside reverse transcriptase inhibitors that are highly potent and effective against wild-type and drug-resistant HIV-1 variants. J Med Chem 47 : 2550 2560.
-
(2004)
J Med Chem
, vol.47
, pp. 2550-2560
-
-
Das, K.1
Clark Jr., A.D.2
Lewi, P.J.3
Heeres, J.4
De Jonge, M.R.5
Koymans, L.M.6
Vinkers, H.M.7
-
19
-
-
0031449527
-
A 3D QSAR study of a series of HEPT analogues: The influence of conformational mobility on HIV-1 reverse transcriptase inhibition
-
Kireev D.B., Chretien J.R., Grierson D.S., Monneret C. (1997) A 3D QSAR study of a series of HEPT analogues: the influence of conformational mobility on HIV-1 reverse transcriptase inhibition. J Med Chem 40 : 4257 4264.
-
(1997)
J Med Chem
, vol.40
, pp. 4257-4264
-
-
Kireev, D.B.1
Chretien, J.R.2
Grierson, D.S.3
Monneret, C.4
-
20
-
-
0023751431
-
Comparative molecular field analysis (CoMFA). 1. Effect of shape on Binding of steroids to carrier proteins
-
Cramer R.D., Patterson D.E., Bunce J.D. (1988) Comparative molecular field analysis (CoMFA). 1. Effect of shape on Binding of steroids to carrier proteins. J Am Chem Soc 110 : 5959 5967.
-
(1988)
J Am Chem Soc
, vol.110
, pp. 5959-5967
-
-
Cramer, R.D.1
Patterson, D.E.2
Bunce, J.D.3
-
21
-
-
0027944195
-
Molecular similarity indices in a comparative analysis (CoMSIA) of drug molecules to correlate and predict their biological activity
-
Klebe G., Abraham U., Mietzner T. (1994) Molecular similarity indices in a comparative analysis (CoMSIA) of drug molecules to correlate and predict their biological activity. J Med Chem 37 : 4130 4146.
-
(1994)
J Med Chem
, vol.37
, pp. 4130-4146
-
-
Klebe, G.1
Abraham, U.2
Mietzner, T.3
-
22
-
-
0344553473
-
Comparative study of non nucleoside inhibitors with HIV-1 reverse transcriptase based on 3D-QSAR and docking
-
Chen H.F., Yao X.J., Li Q., Yuan S.G., Panaye A., Doucet J.P., Fan B.T. (2003) Comparative study of non nucleoside inhibitors with HIV-1 reverse transcriptase based on 3D-QSAR and docking. SAR QSAR Environ Res 14 : 455 474.
-
(2003)
SAR QSAR Environ Res
, vol.14
, pp. 455-474
-
-
Chen, H.F.1
Yao, X.J.2
Li, Q.3
Yuan, S.G.4
Panaye, A.5
Doucet, J.P.6
Fan, B.T.7
-
24
-
-
0029655006
-
Cross-validated R2-guided region selection for comparative molecular field analysis: A simple method to achieve consistent results
-
Cho S.J., Tropsha A. (1995) Cross-validated R2-guided region selection for comparative molecular field analysis: a simple method to achieve consistent results. J Med Chem 38 : 1060 1066.
-
(1995)
J Med Chem
, vol.38
, pp. 1060-1066
-
-
Cho, S.J.1
Tropsha, A.2
-
25
-
-
0027209171
-
The probability of chance correlation using partial least squares (PLS)
-
Clark M., Cramer R.D. (1993) The probability of chance correlation using partial least squares (PLS). Quant Struct Act Relat 12 : 137 145.
-
(1993)
Quant Struct Act Relat
, vol.12
, pp. 137-145
-
-
Clark, M.1
Cramer, R.D.2
-
26
-
-
0037920567
-
Three-dimensional quantitative structure-activity relationship analyses using comparative molecular field analysis and comparative molecular similarity indices analysis to elucidate selectivity differences of inhibitors binding to trypsin, thrombin, and factor Xa
-
Bohm M., Stürzebecher J., Klebe G. (1999) Three-dimensional quantitative structure-activity relationship analyses using comparative molecular field analysis and comparative molecular similarity indices analysis to elucidate selectivity differences of inhibitors binding to trypsin, thrombin, and factor Xa. J Med Chem 42 : 458 477.
-
(1999)
J Med Chem
, vol.42
, pp. 458-477
-
-
Bohm, M.1
Stürzebecher, J.2
Klebe, G.3
-
27
-
-
0002098417
-
The development / application of "minimalist" organic / biochemical molecular mechanic force field using a combination of ab initio calculations and experimental data
-
In: van Gunsteren, W.F., Weiner, P.K., Wilkinson, A.J., editors. Dordrecht, The Netherlands: ESCOM. p.
-
Kollman P.A., Dixon R.W., Cornell W.D., Chipot C., Pohorille A. (1997) The development / application of "minimalist" organic / biochemical molecular mechanic force field using a combination of ab initio calculations and experimental data. In : van Gunsteren W.F., Weiner P.K., Wilkinson A.J., editors. Computer Simulations of Biological Systems, vol. 3. Dordrecht, The Netherlands : ESCOM p. 83 96.
-
(1997)
Computer Simulations of Biological Systems
, vol.3
, pp. 83-96
-
-
Kollman, P.A.1
Dixon, R.W.2
Cornell, W.D.3
Chipot, C.4
Pohorille, A.5
-
28
-
-
0004016501
-
Comparison of simple potential functions for simulating liquid water
-
Jorgensen W.L., Chandrasekhar J., Madura J.D., Impey R.W., Klein M.L. (1983) Comparison of simple potential functions for simulating liquid water. J Chem Phys 79 : 926 935.
-
(1983)
J Chem Phys
, vol.79
, pp. 926-935
-
-
Jorgensen, W.L.1
Chandrasekhar, J.2
Madura, J.D.3
Impey, R.W.4
Klein, M.L.5
-
29
-
-
2942532422
-
Development and testing of a general amber force field
-
Wang J., Wolf R.M., Caldwell J.W., Kollman P.A., Case D.A. (2004) Development and testing of a general amber force field. J Comput Chem 25 : 1157.
-
(2004)
J Comput Chem
, vol.25
, pp. 1157
-
-
Wang, J.1
Wolf, R.M.2
Caldwell, J.W.3
Kollman, P.A.4
Case, D.A.5
-
30
-
-
33646940952
-
Numerical integration of Cartesian equations of motion of a system with constraints: Molecular dynamics of n-alkanes
-
Rychaert J.P., Ciccotti G., Berendsen H.J.C. (1977) Numerical integration of Cartesian equations of motion of a system with constraints: molecular dynamics of n-alkanes. J Comput Phys 23 : 327 341.
-
(1977)
J Comput Phys
, vol.23
, pp. 327-341
-
-
Rychaert, J.P.1
Ciccotti, G.2
Berendsen, H.J.C.3
-
31
-
-
33846823909
-
Particle mesh ewald: An n·log(N) method for ewald sums in large systems
-
Darden TYD., Pedersen L. (1993) Particle mesh ewald: an n·log(N) method for ewald sums in large systems. J Chem Phys 98 : 10089 10092.
-
(1993)
J Chem Phys
, vol.98
, pp. 10089-10092
-
-
Darden, T.Y.D.1
Pedersen, L.2
-
32
-
-
0028922586
-
LIGPLOT: A program to generate schematic diagrams of protein-ligand interactions
-
Wallace A.C., Laskowski R.A., Thornton J.M. (1995) LIGPLOT: a program to generate schematic diagrams of protein-ligand interactions. Protein Eng 8 : 127 134.
-
(1995)
Protein Eng
, vol.8
, pp. 127-134
-
-
Wallace, A.C.1
Laskowski, R.A.2
Thornton, J.M.3
-
33
-
-
19744364217
-
The molecular basis of resilience to the effect of the Lys103Asn mutation in non-nucleoside HIV-1 reverse transcriptase inhibitors studied by targeted molecular dynamics simulations
-
Rodriguez-Barrios F., Balzarini J., Gago F. (2005) The molecular basis of resilience to the effect of the Lys103Asn mutation in non-nucleoside HIV-1 reverse transcriptase inhibitors studied by targeted molecular dynamics simulations. J Am Chem Soc 127 : 7570 7578.
-
(2005)
J Am Chem Soc
, vol.127
, pp. 7570-7578
-
-
Rodriguez-Barrios, F.1
Balzarini, J.2
Gago, F.3
-
34
-
-
33847618875
-
Discovery of novel benzimidazolones as potent non-nucleoside reverse transcriptase inhibitors active against wild-type and mutant HIV-1 strains
-
Barreca M.L., Rao A., De Luca L., Iraci N., Monforte A.M., Maga G., De Clercq E., Pannecouque C., Balzarini J., Chimirri A. (2007) Discovery of novel benzimidazolones as potent non-nucleoside reverse transcriptase inhibitors active against wild-type and mutant HIV-1 strains. Bioorg Med Chem Lett 17 : 1956 1960.
-
(2007)
Bioorg Med Chem Lett
, vol.17
, pp. 1956-1960
-
-
Barreca, M.L.1
Rao, A.2
De Luca, L.3
Iraci, N.4
Monforte, A.M.5
Maga, G.6
De Clercq, E.7
Pannecouque, C.8
Balzarini, J.9
Chimirri, A.10
-
35
-
-
16644389904
-
Docking-based CoMFA and CoMSIA studies of non-nucleoside reverse transcriptase inhibitors of the pyridinone derivative type
-
Medina-Franco J.L., Rodriguez-Morales S., Juarez-Gordiano C., Hernandez-Campos A., Castillo R. (2004) Docking-based CoMFA and CoMSIA studies of non-nucleoside reverse transcriptase inhibitors of the pyridinone derivative type. J Comput Aided Mol Des 18 : 345 360.
-
(2004)
J Comput Aided Mol des
, vol.18
, pp. 345-360
-
-
Medina-Franco, J.L.1
Rodriguez-Morales, S.2
Juarez-Gordiano, C.3
Hernandez-Campos, A.4
Castillo, R.5
-
36
-
-
10744230514
-
Computer-aided design, synthesis, and anti-HIV-1 activity in vitro of 2-alkylamino-6-[1-(2,6-difluorophenyl)alkyl]-3,4-dihydro-5-alkylpyrimidin- 4(3H)-ones as novel potent non-nucleoside reverse transcriptase inhibitors, also active against the Y181C variant
-
Ragno R., Mai A., Sbardella G., Artico M., Massa S., Musiu C., Mura M., Marturana F., Cadeddu A., La Colla P. (2004) Computer-aided design, synthesis, and anti-HIV-1 activity in vitro of 2-alkylamino-6-[1-(2,6-difluorophenyl)alkyl] -3,4-dihydro-5-alkylpyrimidin- 4(3H)-ones as novel potent non-nucleoside reverse transcriptase inhibitors, also active against the Y181C variant. J Med Chem 47 : 928 934.
-
(2004)
J Med Chem
, vol.47
, pp. 928-934
-
-
Ragno, R.1
Mai, A.2
Sbardella, G.3
Artico, M.4
Massa, S.5
Musiu, C.6
Mura, M.7
Marturana, F.8
Cadeddu, A.9
La Colla, P.10
-
37
-
-
9744258219
-
Crystallography and the design of anti-AIDS drugs: Conformational flexibility and positional adaptability are important in the design of non-nucleoside HIV-1 reverse transcriptase inhibitors
-
Das K., Lewi P.J., Hughes S.H., Arnold E. (2005) Crystallography and the design of anti-AIDS drugs: conformational flexibility and positional adaptability are important in the design of non-nucleoside HIV-1 reverse transcriptase inhibitors. Prog Biophys Mol Biol 88 : 209 231.
-
(2005)
Prog Biophys Mol Biol
, vol.88
, pp. 209-231
-
-
Das, K.1
Lewi, P.J.2
Hughes, S.H.3
Arnold, E.4
|