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Updated: Feb 22, 2026

Quantitative Structure-Activity Relationship, Activity Prediction, and Molecular Dynamics of Non-nucleotide Reverse Transcriptase Inhibitors
Published on: May 9, 2025
Citrinal B, natural 11 beta-hydroxysteroid dehydrogennase type 1 inhibitor identified from structure-based virtual
Jie Cao1, Limin Gao1, Yizhan Chen2
1Union Hospital Affiliated to Tongji Medical College, Huazhong University of Science and Technology, Wuhan 430030, China.
Abstract:
Citrinal B, a tricyclic compound from endophytic fungus Colletotrichum capsici in our previous studies, exhibited significant inhibitory activity against 11β-hydroxysteroid dehydrogenase type 1 (11 β-HSD1) in vitro and showed strong binding affinity to 11β-HSD1. Moreover, citrinal B treatments decreased the lipid droplet accumulation associate with the inhibition of 11β-HSD1 expression in differentiate induced 3T3-L1 preadipocytes. Furthermore, the molecular docking demonstrated that citrinal B coordinated in the active site of 11β-HSD1 is essential for the ability of diminishing the enzyme activity.
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