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Article

Identification of natural compounds targeting the KRAS G12D mutation in pancreatic cancer through integrated in silico and in vitro approaches.

Journal of computer-aided molecular design - 13 May 2026

Shajahan Mohamed Asif, Jayasuriya Ravichandran, Tamilvanan Thangarasu, Ramkumar Kunka Mohanram

Abstract excerpt

KRAS G12D mutations are among the most prevalent drivers of pancreatic ductal adenocarcinoma (PDAC) and remain challenging therapeutic targets due to their structural features and high GTP affinity. In this study, we identified potential natural inhibitors of KRAS G12D through structure-based virtual screening, using MRTX1133 as a reference. Lead compounds, including mangiferin and hesperetin 7-O-glucoside, were...

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Identifiers

PMID: 42126708
DOI: 10.1007/s10822-026-00815-4

Genes

KRAS

Variants

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PubMed metadata and Literature Corpus relationships. Corpus snapshot updated 7 Sept 2026.

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Identification of natural compounds targeting the KRAS G12D mutation in pancreatic cancer through integrated in silico and in vitro approaches.PMID 42126708Read ↗

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