Search drug for anti-COVID19 based on in silico docking study

These results are based on the in silico docking study against different COVID-19 Proteins. The lowest Dock Score represents better binding to the specific receptor(protein) molecule.

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Sr No Ligand Target Binding Energy Docking Ranksort descending Generic Name Type Name of Target Name of Plant Edit Docking Score (General)
61 DB00115 6nur -7.80 Cyanocobalamin Ligand SARS-Coronavirus NSP12 bound to NSP7 and NSP8 co-factors 61
62 DB00007 qhd43415_10 -7.60 Leuprolide Ligand Non-structural protein 10 (nsp10) 62
63 DB00362 6nur -8.70 Anidulafungin Ligand SARS-Coronavirus NSP12 bound to NSP7 and NSP8 co-factors 63
64 DB00006 6vsb -6.20 Bivalirudin Ligand Prefusion 2019-nCoV spike glycoprotein with a single receptor-binding domain up 64
65 DB00014 6lu7 -8.50 Goserelin Ligand The crystal structure of COVID-19 main protease in complex with an inhibitor N3 65
66 DB00050 6vsb -6.90 Cetrorelix Ligand Prefusion 2019-nCoV spike glycoprotein with a single receptor-binding domain up 66
67 DB00080 6lu7 -6.00 Daptomycin Ligand The crystal structure of COVID-19 main protease in complex with an inhibitor N3 67
68 DB00115 qhd43415_10 -7.10 Cyanocobalamin Ligand Non-structural protein 10 (nsp10) 68
69 DB00337 qhd43415_1 -5.80 Pimecrolimus Ligand Host translation inhibitor nsp1 69
70 DB00403 qhd43415_1 -6.60 Ceruletide Ligand Host translation inhibitor nsp1 70
71 DB00314 6nur -8.40 Capreomycin Ligand SARS-Coronavirus NSP12 bound to NSP7 and NSP8 co-factors 71
72 DB00104 6lu7 -6.40 Octreotide Ligand The crystal structure of COVID-19 main protease in complex with an inhibitor N3 72
73 DB00014 6vsb -7.10 Goserelin Ligand Prefusion 2019-nCoV spike glycoprotein with a single receptor-binding domain up 73
74 DB00290 qhd43415_1 -6.50 Bleomycin Ligand Host translation inhibitor nsp1 74
75 DB00050 6nur -8.40 Cetrorelix Ligand SARS-Coronavirus NSP12 bound to NSP7 and NSP8 co-factors 75
76 DB00364 qhd43415_10 -1.70 Sucralfate Ligand Non-structural protein 10 (nsp10) 76
77 HB01795 7PFN -1.10 Malvidin-3,5-diglucoside Ligand Crystal Structure of a Class D Carbapenemase_K73ALY Complexed with Imipenem Lythrum salicaria L., Rhododendron simsii Planch., Celastrus angulatus Maxim., Celastrus angulatus Maxim., Vitis vinifera L. 77
78 DB00364 6nur -1.90 Sucralfate Ligand SARS-Coronavirus NSP12 bound to NSP7 and NSP8 co-factors 78
79 DB00006 6lu7 -8.40 Bivalirudin Ligand The crystal structure of COVID-19 main protease in complex with an inhibitor N3 79
80 DB00290 6nur -7.40 Bleomycin Ligand SARS-Coronavirus NSP12 bound to NSP7 and NSP8 co-factors 80
81 DB00362 6vsb -7.30 Anidulafungin Ligand Prefusion 2019-nCoV spike glycoprotein with a single receptor-binding domain up 81
82 DB00080 qhd43415_10 -4.80 Daptomycin Ligand Non-structural protein 10 (nsp10) 82
83 DB00007 6vsb -6.60 Leuprolide Ligand Prefusion 2019-nCoV spike glycoprotein with a single receptor-binding domain up 83
84 DB00290 6vsb -5.40 Bleomycin Ligand Prefusion 2019-nCoV spike glycoprotein with a single receptor-binding domain up 84
85 DB00337 6nur -8.20 Pimecrolimus Ligand SARS-Coronavirus NSP12 bound to NSP7 and NSP8 co-factors 85
86 DB00200 6nur -8.80 Hydroxocobalamin Ligand SARS-Coronavirus NSP12 bound to NSP7 and NSP8 co-factors 86
87 DB00027 qhd43415_1 -5.90 Gramicidin D Ligand Host translation inhibitor nsp1 87
88 DB00106 6lu7 -6.70 Abarelix Ligand The crystal structure of COVID-19 main protease in complex with an inhibitor N3 88
89 DB00290 6lu7 -7.40 Bleomycin Ligand The crystal structure of COVID-19 main protease in complex with an inhibitor N3 89
90 DB00027 6vsb -6.10 Gramicidin D Ligand Prefusion 2019-nCoV spike glycoprotein with a single receptor-binding domain up 90

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