A hybrid energy-based and AI-based screening approach for the discovery of novel inhibitors of JAK3

The JAKs protein family is composed of four isoforms, and JAK3 has been regarded as a druggable target for the development of drugs to treat various diseases, including hematologic tumors, cancer, and neuronal death. Therefore, the discovery of JAK3 inhibitors with novel scaffolds possesses the pote...

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Bibliographic Details
Main Authors: Juying Wei, Youlu Pan, Zheyuan Shen, Liteng Shen, Lei Xu, Wenjuan Yu, Wenhai Huang
Format: Article
Language:English
Published: Frontiers Media S.A. 2023-10-01
Series:Frontiers in Medicine
Subjects:
Online Access:https://www.frontiersin.org/articles/10.3389/fmed.2023.1182227/full