PMC:7755033 / 72833-75304 JSONTXT

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Best docking poses of WS phytoconstituents with SARS-CoV spike glycoprotein (PDB ID: 5WRG) in comparison to the FDA approved standard reference drugs (Arbidol and Hydroxychloroquine)\nWithaferin A\nWithanolide A\nWithanolide B\nWithanolide D\nWithanolide E\nWithanone\nViscosalactone B\nAnaferine\nWithasomnine\nArbidol\nHydroxychloroquine\n12.3. Best docking poses of WS phytoconstituents with SARS-CoV-2 spike glycoprotein (PDB ID: 6VXX) in comparison to FDA approved standard reference drugs (Arbidol and Hydroxychloroquine)\nWithaferin A\nWithanolide A\nWithanolide B\nWithanolide D\nWithanolide E\nWithanone\nViscosalactone B\nAnaferine\nWithasomnine\nArbidol\nHydroxychloroquine\n12.4. Best docking poses of WS phytoconstituents with papain like protease of SARS-CoV-2 (PDB ID: 6W9C) in comparison to the FDA approved standard reference drugs (Procainamide and Cinacalcet)\nWithaferin A\nWithanolide A\nWithanolide B\nWithanolide D\nWithanolide E\nWithanone\nViscosalactone B\nAnaferine\nWithasomnine\nProcainamide\nCinacalcet\n12.5. Best docking poses of WS phytoconstituents with SARS-CoV main protease/3CL-pro (PBB ID: 1P9U) in comparison to the FDA approved standard reference drugs (Oberadilol and Poziotinib)\nWithaferin A\nWithanolide A\nWithanolide B\nWithanolide D\nWithanolide E\nWithanone\nViscosalactone B\nAnaferine\nWithasomnine\nOberadilol\nPoziotinib\n12.6. Best docking poses of WS phytoconstituents with SARS-CoV-2 main protease/3CL-pro (PDB ID: 6LU7) in comparison to the FDA approved standard reference drugs (Oberadilol and Poziotinib)\nWithaferin A\nWithanolide A\nWithanolide B\nWithanolide D\nWithanolide E\nWithanone\nViscosalactone B\nAnaferine\nWithasomnine\nOberadilol\nPoziotinib\n12.7. Best docking poses of WS phytoconstituents with Nsp-10/Nsp-16 complex from SARS-CoV-2 (PDB ID: 6W75) in comparison to the FDA approved standard reference drugs (Losartan and Hydroxychloroquine)\nWithaferin A\nWithanolide A\nWithanolide B\nWithanolide D\nWithanolide E\nWithanone\nViscosalactone 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