Discovery of novel PRMT1 inhibitors: a combined approach using AI classification model and traditional virtual screening

Discovery of novel PRMT1 inhibitors: a combined approach using AI classification model and traditional virtual screening

Protein arginine methyltransferases (PRMTs) play crucial roles in gene regulation, signal transduction, mRNA splicing, DNA repair, cell differentiation, and embryonic development. Due to its significant impact, PRMTs is a target for the prevention and treatment of various diseases. Among the PRMT fa...

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Bibliographic Details
Main Authors: Jungan Zhang, Yixin Ren, Yun Teng, Han Wu, Jingsu Xue, Lulu Chen, Xiaoyue Song, Yan Li, Ying Zhou, Zongran Pang, Hao Wang
Format: Article
Language:English
Published: Frontiers Media S.A. 2025-01-01
Series:Frontiers in Chemistry
Subjects:
PRMT1
machine learning
molecular docking
molecular dynamics simulation
molecular hybridization
Online Access:https://www.frontiersin.org/articles/10.3389/fchem.2025.1548812/full
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