Crystal Structures of HIV-1 Reverse Transcriptase with Etravirine (TMC125) and Rilpivirine (TMC278): Implications for Drug Design

2010 ◽  
Vol 53 (10) ◽  
pp. 4295-4299 ◽  
Author(s):  
Eric B. Lansdon ◽  
Katherine M. Brendza ◽  
Magdeleine Hung ◽  
Ruth Wang ◽  
Susmith Mukund ◽  
...  
Keyword(s):  
Drug Design ◽  
Reverse Transcriptase ◽  
Crystal Structures ◽  
Hiv 1

scholarly journals Crystal Structures of HIV-1 Reverse Transcriptase with Picomolar Inhibitors Reveal Key Interactions for Drug Design

2012 ◽  
Vol 134 (48) ◽  
pp. 19501-19503 ◽  
Author(s):  
Kathleen M. Frey ◽  
Mariela Bollini ◽  
Andrea C. Mislak ◽  
José A. Cisneros ◽  
Ricardo Gallardo-Macias ◽  
...  
Keyword(s):  
Drug Design ◽  
Reverse Transcriptase ◽  
Crystal Structures ◽  
Hiv 1

Crystal Structures of HIV-1 Reverse Transcriptase in Complex with Carboxanilide Derivatives†,‡

Biochemistry ◽  
1998 ◽  
Vol 37 (41) ◽  
pp. 14394-14403 ◽  
Author(s):  
Jingshan Ren ◽  
Robert M. Esnouf ◽  
Andrew L. Hopkins ◽  
Jonathan Warren ◽  
Jan Balzarini ◽  
...  
Keyword(s):  
Reverse Transcriptase ◽  
Crystal Structures ◽  
Hiv 1

Crystal structures of HIV-1 nonnucleoside reverse transcriptase inhibitors: N-benzyl-4-methyl-benzimidazoles

2009 ◽  
Vol 930 (1-3) ◽  
pp. 157-161 ◽  
Author(s):  
Natasza E. Ziółkowska ◽  
Christopher J. Michejda ◽  
Grzegorz D. Bujacz
Keyword(s):  
Reverse Transcriptase ◽  
Crystal Structures ◽  
Reverse Transcriptase Inhibitors ◽  
Nonnucleoside Reverse Transcriptase Inhibitors ◽  
Hiv 1

Crystal Structures for HIV-1 Reverse Transcriptase in Complexes with Three Pyridinone Derivatives:  A New Class of Non-Nucleoside Inhibitors Effective against a Broad Range of Drug-Resistant Strains

2005 ◽  
Vol 48 (24) ◽  
pp. 7582-7591 ◽  
Author(s):  
Daniel M. Himmel ◽  
Kalyan Das ◽  
Arthur D. Clark, ◽  
Stephen H. Hughes ◽  
Abdellah Benjahad ◽  
...  
Keyword(s):  
Reverse Transcriptase ◽  
Crystal Structures ◽  
Drug Resistant ◽  
New Class ◽  
Resistant Strains ◽  
Drug Resistant Strains ◽  
Nucleoside Inhibitors ◽  
Hiv 1

Crystal Structures of Clinically Relevant Lys103Asn/Tyr181Cys Double Mutant HIV-1 Reverse Transcriptase in Complexes with ATP and Non-nucleoside Inhibitor HBY 097

2007 ◽  
Vol 365 (1) ◽  
pp. 77-89 ◽  
Author(s):  
Kalyan Das ◽  
Stefan G. Sarafianos ◽  
Arthur D. Clark ◽  
Paul L. Boyer ◽  
Stephen H. Hughes ◽  
...  
Keyword(s):  
Reverse Transcriptase ◽  
Crystal Structures ◽  
Double Mutant ◽  
Hiv 1

Recent Advances in Computer-aided Antiviral Drug Design Targeting HIV-1 Integrase and Reverse Transcriptase Associated Ribonuclease H

2021 ◽  
Vol 28 ◽  
Author(s):  
Fengyuan Yang ◽  
Jingyi Yang ◽  
Zhao Zhang ◽  
Gao Tu ◽  
Xiaojun Yao ◽  
...  
Keyword(s):  
Drug Resistance ◽  
Drug Design ◽  
Reverse Transcriptase ◽  
Antiviral Drug ◽  
Antiviral Drugs ◽  
Rnase H ◽  
Energy Calculation ◽  
Recent Advances ◽  
Computer Aided ◽  
Hiv 1

: Acquired immunodeficiency syndrome (AIDS) has been a chronic, life-threatening disease for a long time. However, a broad range of antiretroviral drug regimens are applicable for the successful suppression of virus replication in human immunodeficiency virus type 1 (HIV-1) infected people. The mutation-induced drug resistance problems during the treatment of AIDS forced people to continuously look for new antiviral agents. HIV-1 integrase (IN) and reverse transcriptase associated ribonuclease (RT-RNase H), two pivotal enzymes in HIV-1 replication progress, has gain popularity as drug-able targets for designing novel HIV-1 antiviral drugs. During the development of HIV-1 IN and/or RT-RNase H inhibitors, computer-aided drug design (CADD), including homology modeling, pharmacophore, docking, molecular dynamics (MD) simulation, and binding free energy calculation, represents a significant tool to accelerate the discovery of new drug candidates and reduce costs in antiviral drug development. In this review, we summarized the recent advances in the design of single-and dual-target inhibitors against HIV-1 IN or/and RT-RNase H as well as the prediction of mutation-induced drug resistance based on computational methods. We highlighted the results of the reported literature and proposed some perspectives on the design of novel and more effective antiviral drugs in the future.

scholarly journals HIV-1 reverse transcriptase structure-based drug design: crystals to clinic

2007 ◽  
Vol 63 (a1) ◽  
pp. s18-s18 ◽  
Author(s):  
C. Phillips ◽  
S. Irving ◽  
H. Ringrose ◽  
R. Corbau ◽  
C. Mowbray
Keyword(s):  
Drug Design ◽  
Reverse Transcriptase ◽  
Structure Based Drug Design ◽  
Hiv 1
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