Integrating Machine Learning-Based Virtual Screening With Multiple Protein Structures and Bio-Assay Evaluation for Discovery of Novel GSK3β Inhibitors

Integrating Machine Learning-Based Virtual Screening With Multiple Protein Structures and Bio-Assay Evaluation for Discovery of Novel GSK3β Inhibitors

Glycogen synthase kinase-3β (GSK3β) is associated with various key biological processes, and it has been considered as a critical therapeutic target for the treatment of many diseases. However, it is a big challenge to develop ATP-competition GSK3β inhibitors because of the high sequence homology wi...

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Bibliographic Details
Main Authors: Jingyu Zhu, Yuanqing Wu, Man Wang, Kan Li, Lei Xu, Yun Chen, Yanfei Cai, Jian Jin
Format: Article
Language:English
Published: Frontiers Media S.A. 2020-09-01
Series:Frontiers in Pharmacology
Subjects:
glycogen synthase kinase-3 beta inhibitor
GSK3β
virtual screening
molecular docking
pharmacophore
naive Bayesian classification
Online Access:https://www.frontiersin.org/article/10.3389/fphar.2020.566058/full

Internet

https://www.frontiersin.org/article/10.3389/fphar.2020.566058/full

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