Virtual Screening Based on Machine Learning Explores Mangrove Natural Products as KRAS<sup>G12C</sup> Inhibitors

Virtual Screening Based on Machine Learning Explores Mangrove Natural Products as KRAS<sup>G12C</sup> Inhibitors

Mangrove secondary metabolites have many unique biological activities. We identified lead compounds among them that might target KRAS<sup>G12C</sup><b>.</b> KRAS is considered to be closely related to various cancers. A variety of novel small molecules that directly target KR...

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Bibliographic Details
Main Authors: Lianxiang Luo, Tongyu Zheng, Qu Wang, Yingling Liao, Xiaoqi Zheng, Ai Zhong, Zunnan Huang, Hui Luo
Format: Article
Language:English
Published: MDPI AG 2022-05-01
Series:Pharmaceuticals
Subjects:
mangrove natural products
KRAS<sup>G12C</sup>
machine learning
molecular docking
drug discovery
virtual screening
Online Access:https://www.mdpi.com/1424-8247/15/5/584

Internet

https://www.mdpi.com/1424-8247/15/5/584

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