Related Experiment Video
Updated: Jun 20, 2026

Quantitative Structure-Activity Relationship, Activity Prediction, and Molecular Dynamics of Non-nucleotide Reverse Transcriptase Inhibitors
Published on: May 9, 2025
Activity and molecular modeling of a new small molecule active against NNRTI-resistant HIV-1 mutants
Antonio Carta1, Sabrina Pricl, Sandra Piras
1Dipartimento Farmaco Chimico Tossicologico, Università di Sassari, Via Muroni 23/a, 07100 Sassari, Italy. acarta@uniss.it
Abstract:
In this preliminary study we report the antiviral screening of triazolo[4,5-g]quinoline derivatives (compounds 1-6). 4,9-Dihydrotriazolo[4,5-g]quinoline-1-oxide (1) stood out as a new, small molecule endowed with a selective, promising activity in cell-based assays against HIV-1wt and clinically relevant NNRTI resistant mutants. In order to identify the molecular target, compound 1 was assayed in enzyme assay against the HIV-1wt RT. The molecular modeling strategy adopted yielded a rationale, in terms of molecular interactions and free energy of binding, for the possible reasons of the activity of this compound against NNRTI-resistant HIV-1 mutants with the RT isoforms K103N and Y181C.
Related Concept Videos
Antiviral Nucleoside Inhibitors
Retrovirus Life Cycles
Inhibitors of Virion Maturation and Assembly
Inhibitors of Viral Protein Synthesis

