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Updated: Aug 7, 2026

Quantitative Structure-Activity Relationship, Activity Prediction, and Molecular Dynamics of Non-nucleotide Reverse Transcriptase Inhibitors
Published on: May 9, 2025
Tri-substituted triazoles as potent non-nucleoside inhibitors of the HIV-1 reverse transcriptase
Martha De La Rosa1, Hong Woo Kim, Esmir Gunic
1Valeant Research & Development, Costa Mesa, CA 92626, USA.
Abstract:
A new series of 1,2,4-triazoles was synthesized and tested against several NNRTI-resistant HIV-1 isolates. Several of these compounds exhibited potent antiviral activities against efavirenz- and nevirapine-resistant viruses, containing K103N and/or Y181C mutations or Y188L mutation. Triazoles were first synthesized from commercially available substituted phenylthiosemicarbazides, then from isothiocyanates, and later by condensing the desired substituted anilines with thiosemicarbazones.
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