Discovery of potential WEE1 inhibitors via hybrid virtual screening

Discovery of potential WEE1 inhibitors via hybrid virtual screening

G2/M cell cycle checkpoint protein WEE1 kinase is a promising target for inhibiting tumor growth. Although various WEE1 inhibitors have entered clinical investigations, their therapeutic efficacy and safety profile remain unsatisfactory. In this study, we employed a comprehensive virtual screening w...

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Bibliographic Details
Main Authors: Tingting Jin, Wei Xu, Roufen Chen, Liteng Shen, Jian Gao, Lei Xu, Xinglong Chi, Nengming Lin, Lixin Zhou, Zheyuan Shen, Bo Zhang
Format: Article
Language:English
Published: Frontiers Media S.A. 2023-12-01
Series:Frontiers in Pharmacology
Subjects:
virtual screening
WEE1
molecular dynamics
geometric deep learning
cell cycle
Online Access:https://www.frontiersin.org/articles/10.3389/fphar.2023.1298245/full

Internet

https://www.frontiersin.org/articles/10.3389/fphar.2023.1298245/full

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