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Article

Identification of KRAS mutants (G12C, G12D, and G12V) inhibitors.

Future medicinal chemistry - 1 Sept 2025

Yadav Vikas, Kashif Mohammad, Kamalia Zenab, Vikas, P R Santhipriya, Gourinath Samudrala, Mondal Neelima, Subbarao Naidu

Abstract excerpt

AIM: To identify and validate novel small-molecule inhibitors targeting KRAS G12C, G12D, and G12V mutants through a structure-based drug design and experimental approach. METHODS: We employed molecular docking, molecular dynamics (MD) simulations, MM-PBSA binding free energy calculations, and principal component analysis (PCA) to screen and evaluate potential inhibitors targeting the Switch-II pocket of KRAS...

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Methodology Data sources Editorial policy Privacy About Contact Helena Bioinformatics

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Source

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Identifiers

PMID: 40959979
DOI: 10.1080/17568919.2025.2557177
PMCID: PMC12456861

Genes

KRAS

Variants

Provenance

PubMed metadata and Literature Corpus relationships. Corpus snapshot updated 3 Sept 2026.

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