Virtual Screening of Approved Clinic Drugs with Main Protease (3CLpro) Reveals Potential Inhibitory Effects on SARS-CoV-2
Qiang Wang, Ying Zhao, Xiaojia Chen, An Hong
202013 citations
Abstract
3CLpro is the main protease of the novel coronavirus (SARS-CoV-2) responsible for their intracellular duplication. Based on virtual screening technology and molecular dynamics simulation, we found ...
Topics & Concepts
Inhibitory postsynaptic potentialVirtual screeningSevere acute respiratory syndrome coronavirus 2 (SARS-CoV-2)Coronavirus disease 2019 (COVID-19)PharmacologyProtease2019-20 coronavirus outbreakVirologyMedicineChemistryInternal medicineEnzymeBiochemistryDrug discoveryDiseaseOutbreakInfectious disease (medical specialty)Innovative Microfluidic and Catalytic Techniques InnovationComputational Drug Discovery MethodsAdvanced Biosensing Techniques and Applications