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Updated: Jul 15, 2026

Quantitative Structure-Activity Relationship, Activity Prediction, and Molecular Dynamics of Non-nucleotide Reverse Transcriptase Inhibitors
Published on: May 9, 2025
Coumarin derivatives as HIV-1 inhibitors: mechanistic insights and structure-activity relationships
Xiaohui Lin1, Xijun Sheng2, Hao Zhou2
1Pharmaceutical Research Institute, School of Chemical Engineering and Pharmacy, Wuhan Institute of Technology, Wuhan, 430205, China.
Abstract:
Coumarin is a versatile scaffold occurring extensively in abundant natural compounds and synthetic pharmaceuticals. Coumarin derivatives have been proven to inhibit multiple stages of HIV-1 replication, and their unique structures enable them to interact with diverse targets involved in the HIV-1 replication cycle, thereby exerting potent antiviral activity. Currently, HIV-1 inhibitors with novel structures and mechanisms are in urgent need to overcome the existing challenges of drug resistance, safety, and efficacy. Based on the characteristics of the retroviral life cycle, this paper reviews the research progress of coumarin derivatives over the past two decades, aiming to provide valuable insights into the structure-activity relationships (SARs) and design strategies for novel coumarin-based HIV-1 inhibitors in the future.
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