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Article

Metadynamics reveals luteolin-mediated conformational stabilization against avapritinib-resistant PDGFRα D842V/G680R GIST.

Scientific reports - 16 Feb 2026

El Khattabi Kaoutar, Akachar Jihane, Lemriss Sanaa, El Jaoudi Rachid, Zouaidia Fouad

Abstract excerpt

Gastrointestinal stromal tumors (GISTs) driven by PDGFRα D842V mutations respond robustly to avapritinib, but acquired resistance through secondary mutations such as G680R creates steric hindrance that compromises drug binding. Current therapeutic options for compound-resistant PDGFRα mutations remain limited. We employed integrated computational simulations including molecular docking, classical molecular...

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Identifiers

PMID: 41698973
DOI: 10.1038/s41598-026-36898-0
PMCID: PMC12909897

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PubMed metadata and Literature Corpus relationships. Corpus snapshot updated 10 Sept 2026.

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