Stable H-bond networks are crucial for selective CLK1 inhibition: a computational perspective

Studying the selectivity mechanism of inhibitors towards highly similar isoforms is an important task in the development of new drugs, which are designed to avoid the undesired side effects in vivo. CDC-like kinase isoforms (CLKs) are serine/threonine protein kinases that are involved in the phospho...

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Bibliographic Details
Published in:	Frontiers in Chemistry
Main Authors:	Yuzhou Huang, Baichun Hu, Haihan Liu, Jian Wang, Na Duan
Format:	Article
Language:	English
Published:	Frontiers Media S.A. 2025-06-01
Subjects:	CLK1 CLK3 selective inhibitor molecular docking molecular dynamics simulation
Online Access:	https://www.frontiersin.org/articles/10.3389/fchem.2025.1582515/full

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