Jorgensen WL - Search Results

1

Structure-based evaluation of C5 derivatives in the catechol diether series targeting HIV-1 reverse transcriptase.

Frey KM, Gray WT, Spasov KA, Bollini M, Gallardo-Macias R, Jorgensen WL, Anderson KS. Frey KM, et al. Among authors: jorgensen wl. Chem Biol Drug Des. 2014 May;83(5):541-9. doi: 10.1111/cbdd.12266. Epub 2014 Mar 14. Chem Biol Drug Des. 2014. PMID: 24289305 Free PMC article.

2

Estimation of binding affinities for HEPT and nevirapine analogues with HIV-1 reverse transcriptase via Monte Carlo simulations.

Rizzo RC, Tirado-Rives J, Jorgensen WL. Rizzo RC, et al. Among authors: jorgensen wl. J Med Chem. 2001 Jan 18;44(2):145-54. doi: 10.1021/jm000255n. J Med Chem. 2001. PMID: 11170624

3

Antiviral drug design: computational analyses of the effects of the L100I mutation for HIV-RT on the binding of NNRTIs.

Wang DP, Rizzo RC, Tirado-Rives J, Jorgensen WL. Wang DP, et al. Among authors: jorgensen wl. Bioorg Med Chem Lett. 2001 Nov 5;11(21):2799-802. doi: 10.1016/s0960-894x(01)00510-8. Bioorg Med Chem Lett. 2001. PMID: 11597403

4

Validation of a model for the complex of HIV-1 reverse transcriptase with nonnucleoside inhibitor TMC125.

Udier-Blagović M, Tirado-Rives J, Jorgensen WL. Udier-Blagović M, et al. Among authors: jorgensen wl. J Am Chem Soc. 2003 May 21;125(20):6016-7. doi: 10.1021/ja034308c. J Am Chem Soc. 2003. PMID: 12785806

5

Activity predictions for efavirenz analogues with the K103N mutant of HIV reverse transcriptase.

Udier-Blagović M, Watkins EK, Tirado-Rives J, Jorgensen WL. Udier-Blagović M, et al. Among authors: jorgensen wl. Bioorg Med Chem Lett. 2003 Oct 6;13(19):3337-40. doi: 10.1016/s0960-894x(03)00681-4. Bioorg Med Chem Lett. 2003. PMID: 12951121

6

Structural and energetic analyses of the effects of the K103N mutation of HIV-1 reverse transcriptase on efavirenz analogues.

Udier-Blagović M, Tirado-Rives J, Jorgensen WL. Udier-Blagović M, et al. Among authors: jorgensen wl. J Med Chem. 2004 Apr 22;47(9):2389-92. doi: 10.1021/jm0303507. J Med Chem. 2004. PMID: 15084137

7

Computer-aided design of non-nucleoside inhibitors of HIV-1 reverse transcriptase.

Jorgensen WL, Ruiz-Caro J, Tirado-Rives J, Basavapathruni A, Anderson KS, Hamilton AD. Jorgensen WL, et al. Bioorg Med Chem Lett. 2006 Feb;16(3):663-7. doi: 10.1016/j.bmcl.2005.10.038. Epub 2005 Nov 2. Bioorg Med Chem Lett. 2006. PMID: 16263277

8

Optimization of diarylamines as non-nucleoside inhibitors of HIV-1 reverse transcriptase.

Ruiz-Caro J, Basavapathruni A, Kim JT, Bailey CM, Wang L, Anderson KS, Hamilton AD, Jorgensen WL. Ruiz-Caro J, et al. Among authors: jorgensen wl. Bioorg Med Chem Lett. 2006 Feb;16(3):668-71. doi: 10.1016/j.bmcl.2005.10.037. Epub 2005 Nov 17. Bioorg Med Chem Lett. 2006. PMID: 16298131

9

Elucidation of fatty acid amide hydrolase inhibition by potent alpha-ketoheterocycle derivatives from Monte Carlo simulations.

Guimarães CR, Boger DL, Jorgensen WL. Guimarães CR, et al. Among authors: jorgensen wl. J Am Chem Soc. 2005 Dec 14;127(49):17377-84. doi: 10.1021/ja055438j. J Am Chem Soc. 2005. PMID: 16332087

10

Optimization of pyrimidinyl- and triazinyl-amines as non-nucleoside inhibitors of HIV-1 reverse transcriptase.

Thakur VV, Kim JT, Hamilton AD, Bailey CM, Domaoal RA, Wang L, Anderson KS, Jorgensen WL. Thakur VV, et al. Among authors: jorgensen wl. Bioorg Med Chem Lett. 2006 Nov 1;16(21):5664-7. doi: 10.1016/j.bmcl.2006.08.037. Epub 2006 Aug 22. Bioorg Med Chem Lett. 2006. PMID: 16931015

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