skip to main content
OSTI.GOV title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Structural Studies and Structure Activity Relationships for Novel Computationally Designed Non-nucle

Journal Article · · Front. Mol. Biosci.

Research Organization:
Argonne National Lab. (ANL), Argonne, IL (United States). Advanced Photon Source (APS)
Sponsoring Organization:
DOE - Office Of Science; National Institutes of Health (NIH)
OSTI ID:
1863069
Journal Information:
Front. Mol. Biosci., Vol. 9
Country of Publication:
United States
Language:
ENGLISH

References (38)

PHENIX: a comprehensive Python-based system for macromolecular structure solution journal January 2010
Panel of Prototypical Recombinant Infectious Molecular Clones Resistant to Nevirapine, Efavirenz, Etravirine, and Rilpivirine journal August 2012
Structural insights into the recognition of nucleoside reverse transcriptase inhibitors by HIV‐1 reverse transcriptase: First crystal structures with reverse transcriptase and the active triphosphate forms of lamivudine and emtricitabine journal August 2019
Computationally-Guided Optimization of a Docking Hit to Yield Catechol Diethers as Potent Anti-HIV Agents journal December 2011
Optimization of diarylazines as anti-HIV agents with dramatically enhanced solubility journal September 2013
Extension into the entrance channel of HIV-1 reverse transcriptase—Crystallography and enhanced solubility journal September 2013
Covalent inhibitors for eradication of drug-resistant HIV-1 reverse transcriptase: From design to protein crystallography journal August 2017
MolProbity : all-atom structure validation for macromolecular crystallography journal December 2009
High-resolution structures of HIV-1 reverse transcriptase/TMC278 complexes: Strategic flexibility explains potency against resistance mutations journal January 2008
Non-nucleoside reverse transcriptase inhibitors (NNRTIs), their discovery, development, and use in the treatment of HIV-1 infection: A review of the last 20 years (1989–2009) journal January 2010
The role of non-nucleoside reverse transcriptase inhibitors (NNRTIs) in the therapy of HIV-1 infection1Presented at the Eleventh International Conference on Antiviral Research, San Diego, CA, 5–10 April 1998.1 journal June 1998
Highlights in the Discovery of Antiviral Drugs: A Personal Retrospective journal October 2009
Features and development of Coot journal March 2010
Crystal Structures of HIV-1 Reverse Transcriptase with Picomolar Inhibitors Reveal Key Interactions for Drug Design journal November 2012
Structure-Based Evaluation of Non-nucleoside Inhibitors with Improved Potency and Solubility That Target HIV Reverse Transcriptase Variants journal February 2015
The HIV therapy market journal June 2016
Investigation of the stereochemical course of DNA synthesis catalysed by human immunodeficiency virus type 1 reverse transcriptase journal August 1989
Covalent Inhibition of Wild-Type HIV-1 Reverse Transcriptase Using a Fluorosulfate Warhead journal January 2021
Current Perspectives on HIV-1 Antiretroviral Drug Resistance journal October 2014
In Search of a Novel Anti-HIV Drug:  Multidisciplinary Coordination in the Discovery of 4-[[4-[[4-[(1 E )-2-Cyanoethenyl]-2,6-dimethylphenyl]amino]-2- pyrimidinyl]amino]benzonitrile (R278474, Rilpivirine) journal March 2005
Efficient Discovery of Potent Anti-HIV Agents Targeting the Tyr181Cys Variant of HIV Reverse Transcriptase journal October 2011
Crystal structure at 3.5 A resolution of HIV-1 reverse transcriptase complexed with an inhibitor journal June 1992
Structural and Preclinical Studies of Computationally Designed Non-Nucleoside Reverse Transcriptase Inhibitors for Treating HIV infection journal February 2017
From in silico hit to long-acting late-stage preclinical candidate to combat HIV-1 infection journal December 2017
Crystal Structures of HIV-1 Reverse Transcriptase with Etravirine (TMC125) and Rilpivirine (TMC278): Implications for Drug Design journal May 2010
Picomolar Inhibitors of HIV Reverse Transcriptase Featuring Bicyclic Replacement of a Cyanovinylphenyl Group journal October 2013
Picomolar Inhibitors of HIV-1 Reverse Transcriptase: Design and Crystallography of Naphthyl Phenyl Ethers journal September 2014
Discovery and crystallography of bicyclic arylaminoazines as potent inhibitors of HIV-1 reverse transcriptase journal November 2015
Review of Doravirine Resistance Patterns Identified in Participants During Clinical Development journal January 2020
Phaser crystallographic software journal July 2007
HKL -3000: the integration of data reduction and structure solution – from diffraction images to an initial model in minutes journal July 2006
Characterization of novel non-nucleoside reverse transcriptase (RT) inhibitor resistance mutations at residues 132 and 135 in the 51 kDa subunit of HIV-1 RT journal April 2007
Tetrazolium-based colorimetric assay for the detection of HIV replication inhibitors: revisited 20 years later journal February 2008
The Challenge of Finding a Cure for HIV Infection journal March 2009
Human immunodeficiency virus reverse transcriptase substrate-induced conformational changes and the mechanism of inhibition by nonnucleoside inhibitors. journal August 1995
The structure of unliganded reverse transcriptase from the human immunodeficiency virus type 1. journal February 1995
Mechanism of inhibition of HIV-1 reverse transcriptase by nonnucleoside inhibitors journal February 1995
Iterative-build OMIT maps: map improvement by iterative model building and refinement without model bias journal April 2008