Drug Repurposing against KRAS Mutant G12C: A Machine Learning, Molecular Docking, and Molecular Dynamics Study

Drug Repurposing against KRAS Mutant G12C: A Machine Learning, Molecular Docking, and Molecular Dynamics Study

The Kirsten rat sarcoma viral G12C (KRAS<sup>G12C</sup>) protein is one of the most common mutations in non-small-cell lung cancer (NSCLC). KRAS<sup>G12C</sup> inhibitors are promising for NSCLC treatment, but their weaker activity in resistant tumors is their drawback. This...

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Bibliographic Details
Main Authors: Tarapong Srisongkram, Natthida Weerapreeyakul
Format: Article
Language:English
Published: MDPI AG 2022-12-01
Series:International Journal of Molecular Sciences
Subjects:
NSCLC
drug repurposing
extreme gradient boosting
XGBoost
QSAR
drug repositioning
Online Access:https://www.mdpi.com/1422-0067/24/1/669

Internet

https://www.mdpi.com/1422-0067/24/1/669

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