Biological perspective of thiazolide derivatives against Mpro and MTase of SARS-CoV-2: Molecular docking, DFT and MD simulation investigations
Nouman Rasool, Farkhanda Yasmin, Shalini Sahai, Waqar Hussain, Hadiqa Inam, Arooj Arshad
Topics & Concepts
In silicoDocking (animal)Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2)MethyltransferaseIn vivoCoronavirus disease 2019 (COVID-19)ProteaseIn vitroChemistryComputational biology2019-20 coronavirus outbreakPharmacologyCombinatorial chemistryBiochemistryBiologyEnzymeVirologyMedicineMethylationGeneticsInfectious disease (medical specialty)GeneDiseaseNursingOutbreakPathologyComputational Drug Discovery MethodsSARS-CoV-2 and COVID-19 ResearchSynthesis and biological activity