Screening of plant-based natural compounds as a potential COVID-19 main protease inhibitor: an <i>in silico</i> docking and molecular dynamics simulation approach
Ranabir Majumder, Mahitosh Mandal
Abstract
inhibitor. But before that, it must go through under the proper preclinical and clinical trials for further scientific validation.Communicated by Ramaswamy H. Sarma.
Topics & Concepts
In silicoDocking (animal)Molecular dynamicsCoronavirus disease 2019 (COVID-19)Computational biologySevere acute respiratory syndrome coronavirus 2 (SARS-CoV-2)Protease inhibitor (pharmacology)2019-20 coronavirus outbreakComputer scienceChemistryVirologyBiologyMedicineBiochemistryComputational chemistryInfectious disease (medical specialty)VirusAntiretroviral therapyDiseaseNursingOutbreakGenePathologyViral loadComputational Drug Discovery MethodsDiverse Scientific Research StudiesMedicinal Plant Research