Discovery of novel and potent celastrol derivatives as PRDX1 inhibitors for cancer therapy through structure-based virtual screening

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Discovery of novel and potent celastrol derivatives as PRDX1 inhibitors for cancer therapy through structure-based virtual screening

BackgroundPeroxiredoxin 1 (PRDX1) is an antioxidant enzyme overexpressed in several cancers that protects tumor cells from oxidative damage by scavenging excess reactive oxygen species making it a potential strategy for cancer therapy.MethodsIn this study, a multi-step screening strategy combining m...

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Bibliographic Details
Main Authors:	Lixia Guan, Yifei Geng, Yuting Wang, Miao-Miao Niu, Kun Shi
Format:	Article
Language:	English
Published:	Frontiers Media S.A. 2025-07-01
Series:	Frontiers in Pharmacology
Subjects:	Prdx1 ROS base-structure virtual screening molecular docking cancer cells
Online Access:	https://www.frontiersin.org/articles/10.3389/fphar.2025.1625604/full
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