Discovery of Novel Noncovalent KRAS G12D Inhibitors through Structure-Based Virtual Screening and Molecular Dynamics Simulations

Discovery of Novel Noncovalent KRAS G12D Inhibitors through Structure-Based Virtual Screening and Molecular Dynamics Simulations

The development of effective inhibitors targeting the Kirsten rat sarcoma viral proto-oncogene (KRAS<sup>G12D</sup>) mutation, a prevalent oncogenic driver in cancer, represents a significant unmet need in precision medicine. In this study, an integrated computational approach combining...

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Bibliographic Details
Main Authors: Zhenya Du, Gao Tu, Yaguo Gong, Xiangzheng Fu, Qibiao Wu, Guankui Long
Format: Article
Language:English
Published: MDPI AG 2024-03-01
Series:Molecules
Subjects:
KRAS<sup>G12D</sup>
noncovalent inhibitor
virtual screening
molecular dynamics
Online Access:https://www.mdpi.com/1420-3049/29/6/1229

Internet

https://www.mdpi.com/1420-3049/29/6/1229

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