Proposing a fungal metabolite-flaviolin as a potential inhibitor of 3CL<sup>pro</sup>of novel coronavirus SARS-CoV-2 identified using docking and molecular dynamics
Priyashi Rao, Arpit Shukla, Paritosh Parmar, Rakesh Rawal, Baldev Patel, Meenu Saraf, Dweipayan Goswami
Abstract
of novel Coronavirus SARS-CoV-2.Communicated by Ramaswamy H. Sarma.
Topics & Concepts
Docking (animal)CoronavirusPubChemMetaboliteBiologyNatural productVirologyComputational biologyDrug discoverySevere acute respiratory syndrome coronavirus 2 (SARS-CoV-2)Viral replicationSmall moleculeVirusCoronavirus disease 2019 (COVID-19)BiochemistryInfectious disease (medical specialty)DiseaseMedicineNursingPathologyComputational Drug Discovery MethodsMicrobial Natural Products and Biosynthesisthermodynamics and calorimetric analyses