Searching for novel scaffold of triazole non-nucleoside inhibitors of HIV-1 reverse transcriptase

摘要: AbstractAzoles are a promising class of the new generation HIV-1 non-nucleoside reverse transcriptase inhibitors (NNRTIs). From thousands reported compounds, many possess same basic structure an aryl substituted azole ring linked by thioglycolamide chain with another aromatic ring. In order to find novel extensions for this scaffold, we explored 5-position substitution pattern triazole NNRTIs using molecular docking followed synthesis selected compounds. We found that heterocyclic substituents in detrimental inhibitory activity compounds four-membered linker and seems be viable only shorter two-membered linker. Promising compound, N-(4-carboxy-2-chlorophenyl)-2-((4-benzyl-5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl)acetamide, potent acceptable aqueous solubility has been identified study could serve as lead scaffold t...