Structure-based discovery and experimental validation of HIT101481851 as a potential PKMYT1 inhibitor for pancreatic cancer

Structure-based discovery and experimental validation of HIT101481851 as a potential PKMYT1 inhibitor for pancreatic cancer

PKMYT1 is a validated therapeutic target in pancreatic cancer due to its critical role in controlling the G2/M transition of the cell cycle. In this study, a structure-based drug discovery pipeline was implemented to identify novel PKMYT1 inhibitors with high binding stability and anticancer potenti...

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Bibliographic Details
Main Authors: Ting Wang, Jingyu Wang, Gongxiong Yao, Hongchao Zhang, Chenghui Song, Xueren Ao
Format: Article
Language:English
Published: Frontiers Media S.A. 2025-06-01
Series:Frontiers in Pharmacology
Subjects:
PKMYT1
pancreatic cancer
virtual screening
molecular dynamics
experimental validation
Online Access:https://www.frontiersin.org/articles/10.3389/fphar.2025.1605741/full
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