Screening of potential bio-molecules from<i>Moringa olifera</i>against SARS-CoV-2 main protease using computational approaches
Shalini Mathpal, Priyanka Sharma, Tushar Joshi, Tanuja Joshi, Veena Pande, Subhash Chandra
Abstract
, respectively. Promising outcomes from MD simulations evidence the worth of these compounds for future drug development to combat coronavirus disease.Communicated by Ramaswamy H. Sarma.
Topics & Concepts
VitexinChemistryKaempferolAutoDockDocking (animal)StereochemistryMoringaMolecular dynamicsDrugBiochemistryPharmacologyCombinatorial chemistryFlavonoidAntioxidantComputational chemistryBiologyFood scienceMedicineIn silicoNursingGeneMoringa oleifera research and applicationsDrug-Induced Hepatotoxicity and ProtectionPhytochemistry and Bioactivity Studies