ArticleBioorganic & medicinal chemistry letters2010
Eastern extension of azoles as non-nucleoside inhibitors of HIV-1 reverse transcriptase; cyano group alternatives.
Article in Bioorganic & medicinal chemistry letters, 2010. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 15 papers.
What it found
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Who cites it
15 citing papers in PubMed.
- Discovery of diarylpyrimidine derivatives bearing piperazine sulfonyl as potent HIV-1 nonnucleoside reverse transcriptase inhibitors.Communications chemistry · 2023Article
- Unbinding Dynamics of Non-Nucleoside Inhibitors from HIV-1 Reverse Transcriptase.The journal of physical chemistry. B · 2019Article
- Computer-aided discovery of anti-HIV agents.Bioorganic & medicinal chemistry · 2016Article
- Computational drug design strategies applied to the modelling of human immunodeficiency virus-1 reverse transcriptase inhibitors.Memorias do Instituto Oswaldo Cruz · 2015Review
- Molecular dynamics and Monte Carlo simulations for protein-ligand binding and inhibitor design.Biochimica et biophysica acta · 2015Article
- Enhanced Monte Carlo Sampling through Replica Exchange with Solute Tempering.Journal of chemical theory and computation · 2014Article
- Extension into the entrance channel of HIV-1 reverse transcriptase--crystallography and enhanced solubility.Bioorganic & medicinal chemistry letters · 2013Article
- Optimization of benzyloxazoles as non-nucleoside inhibitors of HIV-1 reverse transcriptase to enhance Y181C potency.Bioorganic & medicinal chemistry letters · 2013Article
- Methyl effects on protein-ligand binding.Journal of medicinal chemistry · 2012Article
- Discovery of dimeric inhibitors by extension into the entrance channel of HIV-1 reverse transcriptase.Bioorganic & medicinal chemistry letters · 2012Article
- Identification of HIV inhibitors guided by free energy perturbation calculations.Current pharmaceutical design · 2012Review
- Computationally-guided optimization of a docking hit to yield catechol diethers as potent anti-HIV agents.Journal of medicinal chemistry · 2011Article
- Efficient discovery of potent anti-HIV agents targeting the Tyr181Cys variant of HIV reverse transcriptase.Journal of the American Chemical Society · 2011Article
- Alchemical free energy methods for drug discovery: progress and challenges.Current opinion in structural biology · 2011Review
- Effects of Water Placement on Predictions of Binding Affinities for p38α MAP Kinase Inhibitors.Journal of chemical theory and computation · 2010Article
Corrections and comments
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Authors and funding
8 authors.
Funding
Abstract
Design of non-nucleoside inhibitors of HIV-1 reverse transcriptase is being pursued with the assistance of free energy perturbation (FEP) calculations to predict relative free energies of binding. Extension of azole-containing inhibitors into an 'eastern' channel between Phe227 and Pro236 has led to the discovery of potent and structurally novel derivatives.
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Registered trials
Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.