Factual insights of the allosteric inhibition mechanism of SARS-CoV-2 main protease by quercetin: an in silico analysis
Shalja Verma, Anand Kumar Pandey
Topics & Concepts
Allosteric regulationQuercetinProteaseIn silicoActive siteChemistryPeptideBinding siteDocking (animal)StereochemistryEnzymeBiochemistryGeneMedicineNursingAntioxidantComputational Drug Discovery MethodsSynthesis and biological activityProtein Structure and Dynamics