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1.

Structural mechanisms of drug resistance for mutations at codons 181 and 188 in HIV-1 reverse transcriptase and the improved resilience of second generation non-nucleoside inhibitors.

Ren J, Nichols C, Bird L, Chamberlain P, Weaver K, Short S, Stuart DI, Stammers DK.

J Mol Biol. 2001 Sep 28;312(4):795-805.

PMID:
11575933
2.

Synthesis, biological evaluation and molecular modelling studies of new 2,3-diheteroaryl thiazolidin-4-ones as NNRTIs.

Debnath U, Verma S, Singh P, Rawat K, Gupta SK, Tripathi RK, Siddiqui HH, Katti SB, Prabhakar YS.

Chem Biol Drug Des. 2015 May 29. doi: 10.1111/cbdd.12591. [Epub ahead of print]

PMID:
26031778
3.

Lack of evidence for the selection of E138 mutations by first-generation non-nucleoside reverse transcriptase inhibitors in patients infected with HIV-1 non-B subtypes.

Abecasis AB, van Laethem K, Theys K.

AIDS. 2015 May 15;29(8):987-8. doi: 10.1097/QAD.0000000000000627. No abstract available.

PMID:
25909833
4.

Molecular docking and antiviral activity of N-substituted benzyl/phenyl-2-(3,4-dimethyl-5,5-dioxidopyrazolo[4,3-c][1,2]benzothiazin-2(4H)-yl)acetamides.

Ahmad M, Aslam S, Rizvi SU, Muddassar M, Ashfaq UA, Montero C, Ollinger O, Detorio M, Gardiner JM, Schinazi RF.

Bioorg Med Chem Lett. 2015 Mar 15;25(6):1348-51. doi: 10.1016/j.bmcl.2015.01.007. Epub 2015 Jan 22.

PMID:
25701249
5.

Structure-based evaluation of non-nucleoside inhibitors with improved potency and solubility that target HIV reverse transcriptase variants.

Frey KM, Puleo DE, Spasov KA, Bollini M, Jorgensen WL, Anderson KS.

J Med Chem. 2015 Mar 26;58(6):2737-45. doi: 10.1021/jm501908a. Epub 2015 Mar 5.

6.

A novel mutation, D404N, in the connection subdomain of reverse transcriptase of HIV-1 CRF08_BC subtype confers cross-resistance to NNRTIs.

Zhang XM, Wu H, Zhang Q, Lau TC, Chu H, Chen ZW, Jin DY, Zheng BJ.

J Antimicrob Chemother. 2015 May;70(5):1381-90. doi: 10.1093/jac/dku565. Epub 2015 Jan 29.

PMID:
25637519
7.

Picomolar Inhibitors of HIV-1 Reverse Transcriptase: Design and Crystallography of Naphthyl Phenyl Ethers.

Lee WG, Frey KM, Gallardo-Macias R, Spasov KA, Bollini M, Anderson KS, Jorgensen WL.

ACS Med Chem Lett. 2014 Oct 13;5(11):1259-62. doi: 10.1021/ml5003713. eCollection 2014 Nov 13.

PMID:
25408842
8.

The lysine 65 residue in HIV-1 reverse transcriptase function and in nucleoside analog drug resistance.

Garforth SJ, Lwatula C, Prasad VR.

Viruses. 2014 Oct 23;6(10):4080-94. doi: 10.3390/v6104080.

9.

Novel HIV-1 non-nucleoside reverse transcriptase inhibitors: a patent review (2011-2014).

Li X, Zhang L, Tian Y, Song Y, Zhan P, Liu X.

Expert Opin Ther Pat. 2014 Nov;24(11):1199-227. doi: 10.1517/13543776.2014.964685. Epub 2014 Oct 14. Review.

PMID:
25313716
10.

Novel theoretically designed HIV-1 non-nucleoside reverse transcriptase inhibitors derived from nevirapine.

Liu J, He X, Zhang JZ.

J Mol Model. 2014 Oct;20(10):2451. doi: 10.1007/s00894-014-2451-x. Epub 2014 Sep 20.

PMID:
25234608
11.

Mechanism of allosteric inhibition of HIV-1 reverse transcriptase revealed by single-molecule and ensemble fluorescence.

Schauer GD, Huber KD, Leuba SH, Sluis-Cremer N.

Nucleic Acids Res. 2014 Oct;42(18):11687-96. doi: 10.1093/nar/gku819. Epub 2014 Sep 17.

12.

Molecular dynamics and Monte Carlo simulations for protein-ligand binding and inhibitor design.

Cole DJ, Tirado-Rives J, Jorgensen WL.

Biochim Biophys Acta. 2015 May;1850(5):966-71. doi: 10.1016/j.bbagen.2014.08.018. Epub 2014 Sep 6.

PMID:
25196360
13.

Compensatory role of double mutation N348I/M184V on nevirapine binding landscape: insight from molecular dynamics simulation.

Karubiu W, Bhakat S, Soliman ME.

Protein J. 2014 Oct;33(5):432-46. doi: 10.1007/s10930-014-9576-8.

PMID:
25107349
14.

Biophysical Insights into the Inhibitory Mechanism of Non-Nucleoside HIV-1 Reverse Transcriptase Inhibitors.

Schauer G, Leuba S, Sluis-Cremer N.

Biomolecules. 2013 Nov 1;3(4):889-904. doi: 10.3390/biom3040889.

15.

Effects of the protonation state in the interaction of an HIV-1 reverse transcriptase (RT) amino acid, Lys101, and a non nucleoside RT inhibitor, GW420867X.

Galembeck SE, Bickelhaupt FM, Fonseca Guerra C, Galembeck E.

J Mol Model. 2014 Jul;20(7):2332. doi: 10.1007/s00894-014-2332-3. Epub 2014 Jun 26.

PMID:
24965933
16.

Novel Cyclopropyl-Indole Derivatives as HIV Non-Nucleoside Reverse Transcriptase Inhibitors.

Hassam M, Basson AE, Liotta DC, Morris L, van Otterlo WA, Pelly SC.

ACS Med Chem Lett. 2012 May 2;3(6):470-5. doi: 10.1021/ml3000462. eCollection 2012 Jun 14.

17.

Global Conformational Dynamics of HIV-1 Reverse Transcriptase Bound to Non-Nucleoside Inhibitors.

Wright DW, Hall BA, Kellam P, Coveney PV.

Biology (Basel). 2012 Jul 26;1(2):222-44. doi: 10.3390/biology1020222.

18.

Enhanced Monte Carlo Sampling through Replica Exchange with Solute Tempering.

Cole DJ, Tirado-Rives J, Jorgensen WL.

J Chem Theory Comput. 2014 Feb 11;10(2):565-571. Epub 2014 Jan 17.

19.

A mechanistic and structural investigation of modified derivatives of the diaryltriazine class of NNRTIs targeting HIV-1 reverse transcriptase.

Mislak AC, Frey KM, Bollini M, Jorgensen WL, Anderson KS.

Biochim Biophys Acta. 2014 Jul;1840(7):2203-11. doi: 10.1016/j.bbagen.2014.04.001. Epub 2014 Apr 12.

20.

Discovery of novel inhibitors of HIV-1 reverse transcriptase through virtual screening of experimental and theoretical ensembles.

Ivetac A, Swift SE, Boyer PL, Diaz A, Naughton J, Young JA, Hughes SH, McCammon JA.

Chem Biol Drug Des. 2014 May;83(5):521-31. doi: 10.1111/cbdd.12277. Epub 2014 Mar 24.

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