Identification of phytocompounds from Houttuynia cordata Thunb. as potential inhibitors for SARS-CoV-2 replication proteins through GC–MS/LC–MS characterization, molecular docking and molecular dynamics simulation
Sanjib Kumar Das, Saurov Mahanta, Bhaben Tanti, Hui Tag, Pallabi Kalita Hui
Topics & Concepts
QuercitrinChemistryPubChemProtein Data Bank (RCSB PDB)ADMEProteaseDocking (animal)AutoDockHouttuynia cordataVirtual screeningBiochemistryIn silicoDrug discoveryEnzymeChromatographyRutinIn vitroMedicineAntioxidantNursingGeneExtraction (chemistry)Nephrotoxicity and Medicinal PlantsDrug-Induced Hepatotoxicity and ProtectionComputational Drug Discovery Methods