Integration of network pharmacology, molecular docking, and simulations to evaluate phytochemicals from <i>Drymaria cordata</i> against cervical cancer
Kunal Bhattacharya, Bhargab Chandra Nath, Ekbal Ahmed, Pukar Khanal, Nongmaithem Randhoni Chanu, Satyendra Deka, Dibyajyoti Das, Amit Kumar Shrivastava
Abstract
Network pharmacology, molecular docking, and molecular dynamics simulations identify quercetin 3-O-β- d -glucopyranosyl-(1→2)-rhamnopyranoside as a promising inhibitor of HRAS and VEGFA proteins, suggesting potential use of Drymaria cordata as a natural source for treating cervical cancer.
Topics & Concepts
HRASDocking (animal)PharmacologyComputational biologyChemistryQuercetinTraditional medicineMedicineBiologyBiochemistryGeneAntioxidantMutationNursingKRASNatural product bioactivities and synthesisPhytochemical compounds biological activitiesSeaweed-derived Bioactive Compounds