Identification of the Potential of Plant-Derived Agents to Act as KRAS G12D Inhibitors Through Molecular Docking, Molecular Dynamics Simulations, and MMGBSA. (PubMed, Curr Pharm Des) - Sep 5, 2026 - "As a result of this in silico study, coniferin, neochlorogenic acid, and chlorogenic acid have been identified as potential precursor molecules for KRAS G12D inhibition. Isochlorogenic acid was excluded due to its dynamic instability. These plant-derived compounds require further experimental validation as potential anticancer agents targeting KRAS G12D mutations."
Journal • Oncology • Pancreatic Cancer • Pancreatic Ductal Adenocarcinoma • Solid Tumor • KRAS
|
|
Ebru Okutan; Serra Öz???k; Vildan Enisoglu Atalay
|