<i>In silico</i>prediction and interaction of resveratrol on methyl-CpG binding proteins by molecular docking and MD simulations study
Ram Krishna Sahu, Ved Vrat Verma, Amit Kumar, Simran Tandon, Bhudev C. Das, Suresh Hedau
Abstract
for MeCP2-resveratrol, MBD2-resveratrol and MBD1-resveratrol complexes, respectively, which also supported our docking results. Our study also highlighted that the MBD family of proteins forms a binding interaction with other signaling proteins that are involved in various cancer initiation pathways.
Topics & Concepts
ResveratrolChemistryHydrogen bondMolecular dynamicsMECP2Docking (animal)In silicoBiophysicsStereochemistryBiochemistryGeneMoleculeBiologyComputational chemistryNursingPhenotypeOrganic chemistryMedicineRNA and protein synthesis mechanismsSirtuins and Resveratrol in MedicinePARP inhibition in cancer therapy