Structurally modified compounds of hydroxychloroquine, remdesivir and tetrahydrocannabinol against main protease of SARS-CoV-2, a possible hope for COVID-19: Docking and molecular dynamics simulation studies
Deepak Mishra, Radha Raman Maurya, K. Ravi Kumar, Nupur S. Munjal, Vijay Bahadur, Sandeep Sharma, Prashant Singh, Indra Bahadur
Topics & Concepts
HydroxychloroquineCoronavirus disease 2019 (COVID-19)Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2)Docking (animal)2019-20 coronavirus outbreakVirologyProteaseChemistryMolecular dynamicsCombinatorial chemistryComputational biologyEnzymeMedicineBiologyBiochemistryComputational chemistryInfectious disease (medical specialty)PathologyNursingOutbreakDiseaseComputational Drug Discovery MethodsSynthesis and biological activityPharmacological Receptor Mechanisms and Effects