Computationally-Guided Optimization of a Docking Hit to Yield Catechol Diethers as Potent Anti-HIV Agents
Bollini M, Domaoal RA, Thakur VV, Gallardo-Macias R, Spasov KA, Anderson KS, Jorgensen WL. Computationally-Guided Optimization of a Docking Hit to Yield Catechol Diethers as Potent Anti-HIV Agents. Journal Of Medicinal Chemistry 2011, 54: 8582-8591. PMID: 22081993, PMCID: PMC3258498, DOI: 10.1021/jm201134m.Peer-Reviewed Original ResearchEfficient Discovery of Potent Anti-HIV Agents Targeting the Tyr181Cys Variant of HIV Reverse Transcriptase
Jorgensen WL, Bollini M, Thakur VV, Domaoal RA, Spasov KA, Anderson KS. Efficient Discovery of Potent Anti-HIV Agents Targeting the Tyr181Cys Variant of HIV Reverse Transcriptase. Journal Of The American Chemical Society 2011, 133: 15686-15696. PMID: 21853995, PMCID: PMC3183387, DOI: 10.1021/ja2058583.Peer-Reviewed Original ResearchConceptsHuman immunodeficiency virusWild-type HIV-1HIV-1Potent Anti-HIV AgentsInfected human T cellsNon-nucleoside reverseAnti-HIV AgentsHuman T cellsHIV reverse transcriptaseImmunodeficiency virusT cellsHIV RTViral strainsHIV agentsPresent reportReverse transcriptaseNM potencyCritical contributorPotential benefits