title: Synthesis and biological evaluations of sulfanyltriazoles as novel HIV-1 non-nucleoside reverse transcriptase inhibitors.
abstract: A novel sulfanyltriazole was discovered as an HIV-1 non-nucleoside reverse transcriptase inhibitor via HTS using a cell-based assay. Chemical modifications and molecular modeling studies were carried out to establish its SAR and understand its interactions with the enzyme. These modifications led to the identification of sulfanyltriazoles with low nanomolar potency for inhibiting HIV-1 replication and promising activities against selected NNRTI resistant mutants. These novel and potent sulfanyltriazoles could serve as advanced leads for further optimization.
authors.affiliation: Genomics Institute of the Novartis Research Foundation (GNF), San Diego, CA 92121, USA.
authors.forename: Zhiwei
authors.initials: Z
authors.lastname: Wang
authors.forename: Baogen
authors.initials: B
authors.lastname: Wu
authors.forename: Kelli L
authors.initials: KL
authors.lastname: Kuhen
authors.forename: Badry
authors.initials: B
authors.lastname: Bursulaya
authors.forename: Truc N
authors.initials: TN
authors.lastname: Nguyen
authors.forename: Deborah G
authors.initials: DG
authors.lastname: Nguyen
authors.forename: Yun
authors.initials: Y
authors.lastname: He
mesh_terms: D019380:Anti-HIV Agents / Q000494:pharmacology*; D002626:Chemistry, Pharmaceutical / Q000379:methods*; D015195:Drug Design; D024882:Drug Resistance, Viral; D004791:Enzyme Inhibitors / Q000494:pharmacology; D015497:HIV-1 / Q000378:metabolism*; D020128:Inhibitory Concentration 50; D008956:Models, Chemical; D008958:Models, Molecular; D009154:Mutation; D018894:Reverse Transcriptase Inhibitors / Q000494:pharmacology*; D013457:Sulfur Compounds / Q000737:chemistry; D013696:Temperature; D014230:Triazoles / Q000737:chemistry*; D014779:Virus Replication
chemical_list: D019380:Anti-HIV Agents; D004791:Enzyme Inhibitors; D018894:Reverse Transcriptase Inhibitors; D013457:Sulfur Compounds; D014230:Triazoles