Discovery of novel inhibition site centered on 114-bit tryptophan of Thioredoxin reductase 1 through computer-aided drug design

Thioredoxin reductase 1 (TrxR1) is an oxidoreductase playing the important role in the tumor cells. It is a new type of drug therapy target. Most of the existing TrxR1 inhibitors act directly covalently on the active sites. Herein, molecular docking-based virtual screening approach was used to scree...

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Bibliographic Details
Main Authors: Haoyi Yang, Hengyu Wang, Jia Feng, Jianmin Liao, Yuanyuan Lu
Format: Article
Language:English
Published: Elsevier 2023-04-01
Series:Arabian Journal of Chemistry
Subjects:
Online Access:http://www.sciencedirect.com/science/article/pii/S187853522300103X

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