In Silico identification of natural and synthetic inhibitors targeting KRAS mutants (G12D, G12V, and G12C) and wild-type in pancreatic cancer.

doi:10.1016/j.jmgm.2026.109504

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Article

In Silico identification of natural and synthetic inhibitors targeting KRAS mutants (G12D, G12V, and G12C) and wild-type in pancreatic cancer.

Journal of molecular graphics & modelling - 1 Nov 2026

Chanda Hemantha Mani Kumar Chakravarthi, Katari Sudheer Kumar

Abstract excerpt

Pancreatic cancer is a highly aggressive malignancy with poor prognosis, largely driven by oncogenic KRAS mutations. Among these, codon 12 substitutions such as G12D and G12V are the most prevalent and contribute to sustained activation of proliferative and survival signaling pathways. In this study, an integrated in silico approach was employed to identify potential inhibitors targeting wild-type and mutant KRAS...

Read the complete abstract on PubMed

Topics

Pancreatic Neoplasms
Humans
Molecular Dynamics Simulation
Molecular Docking Simulation
Proto-Oncogene Proteins p21(ras)

Methodology Data sources Editorial policy Privacy Delete account & data About Contact Helena Bioinformatics

Mutation

Hydrogen Bonding

Protein Binding

Antineoplastic Agents

Computer Simulation

Ligands

Density Functional Theory

Source

Open in PubMed

Identifiers

PMID: 42398486
DOI: 10.1016/j.jmgm.2026.109504

Genes

KRAS

Variants

Provenance

PubMed metadata and Literature Corpus relationships. Corpus snapshot updated 23 Oct 2026.

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