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Updated: Feb 11, 2026

Quantitative Structure-Activity Relationship, Activity Prediction, and Molecular Dynamics of Non-nucleotide Reverse Transcriptase Inhibitors
Published on: May 9, 2025
Biaryl ethers as novel non-nucleoside reverse transcriptase inhibitors with improved potency against key mutant
Dai-Shi Su1, John J Lim, Elizabeth Tinney
1Department of Medicinal Chemistry and Structural Biology, Merck Research Laboratory, P.O. Box 4, West Point, Pennsylvania 19486, USA. Dai-Shi.X.Su@gsk.com
Abstract:
Biaryl ethers were recently reported as potent NNRTIs. Herein we disclose a detailed SAR study that led to the biaryl ether 6. This compound possessed excellent potency against WT RT and key clinically observed RT mutants and had an excellent pharmacokinetic profile in rats, dogs, and rhesus macaques. The compound also exhibited a clean safety profile in preclinical safety studies.
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