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Updated: May 14, 2026

Quantitative Structure-Activity Relationship, Activity Prediction, and Molecular Dynamics of Non-nucleotide Reverse Transcriptase Inhibitors
Published on: May 9, 2025
Recent advances of diaryl ether family as HIV-1 non-nucleoside reverse transcriptase inhibitors
Xuwang Chen1, Shufang Ding, Peng Zhan
1Department of Medicinal Chemistry, Key Laboratory of Chemical Biology (Educational Ministry of China), School of Pharmaceutical Sciences, Shandong University, 44, West Culture Road, 250012 Jinan, Shandong, P.R.China.
Abstract:
Diaryl ether family as one of the promising second generation HIV-1 non-nucleoside reverse transcriptase inhibitors has attracted considerable attention over the past few years, among which clinical candidate MK-4965 has been advanced into phase II clinical trials. The successful development of diaryl ether family provides valuable avenues in traditional medicinal chemistry, crystallography and computer-aided drug design fields for the design of other novel anti-HIV drug candidates. In this review, the development of diaryl ether family is present including the evolutionary history, design strategies, extensive structural modifications, structure-activity relationship studies and computer-aided molecular simulation of the binding mode in detail.
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