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)
121 DB00626 6lu7 -6.70 Bacitracin Ligand The crystal structure of COVID-19 main protease in complex with an inhibitor N3 121
122 DB00403 qhd43415_1 -6.60 Ceruletide Ligand Host translation inhibitor nsp1 122
123 DB00290 6vsb -5.40 Bleomycin Ligand Prefusion 2019-nCoV spike glycoprotein with a single receptor-binding domain up 123
124 DB00014 qhd43415_1 -7.00 Goserelin Ligand Host translation inhibitor nsp1 124
125 DB00080 6lu7 -6.00 Daptomycin Ligand The crystal structure of COVID-19 main protease in complex with an inhibitor N3 125
126 DB00626 6vsb -6.30 Bacitracin Ligand Prefusion 2019-nCoV spike glycoprotein with a single receptor-binding domain up 126
127 DB00106 qhd43415_10 -7.10 Abarelix Ligand Non-structural protein 10 (nsp10) 127
128 DB00050 6vsb -6.90 Cetrorelix Ligand Prefusion 2019-nCoV spike glycoprotein with a single receptor-binding domain up 128
129 DB00512 6lu7 -7.40 Vancomycin Ligand The crystal structure of COVID-19 main protease in complex with an inhibitor N3 129
130 DB00091 6vsb -6.30 Cyclosporine Ligand Prefusion 2019-nCoV spike glycoprotein with a single receptor-binding domain up 130
131 DB00364 qhd43415_10 -1.70 Sucralfate Ligand Non-structural protein 10 (nsp10) 131
132 DB00602 6nur -9.50 Ivermectin Ligand SARS-Coronavirus NSP12 bound to NSP7 and NSP8 co-factors 132
133 DB00569 6lu7 -6.00 Fondaparinux Ligand The crystal structure of COVID-19 main protease in complex with an inhibitor N3 133
134 DB00035 6lu7 -8.00 Desmopressin Ligand The crystal structure of COVID-19 main protease in complex with an inhibitor N3 134
135 DB00626 qhd43415_1 -5.30 Bacitracin Ligand Host translation inhibitor nsp1 135
136 DB00091 6nur -7.30 Cyclosporine Ligand SARS-Coronavirus NSP12 bound to NSP7 and NSP8 co-factors 136
137 DB00416 6vsb -1.00 Metocurine iodide Ligand Prefusion 2019-nCoV spike glycoprotein with a single receptor-binding domain up 137
138 DB00512 qhd43415_10 -6.20 Vancomycin Ligand Non-structural protein 10 (nsp10) 138
139 DB00520 6lu7 -6.10 Caspofungin Ligand The crystal structure of COVID-19 main protease in complex with an inhibitor N3 139
140 DB00027 qhd43415_10 -6.30 Gramicidin D Ligand Non-structural protein 10 (nsp10) 140
141 DB00615 6nur -9.10 Rifabutin Ligand SARS-Coronavirus NSP12 bound to NSP7 and NSP8 co-factors 141
142 DB00006 6nur -8.10 Bivalirudin Ligand SARS-Coronavirus NSP12 bound to NSP7 and NSP8 co-factors 142
143 DB00035 qhd43415_1 -6.60 Desmopressin Ligand Host translation inhibitor nsp1 143
144 DB00091 qhd43415_10 -5.40 Cyclosporine Ligand Non-structural protein 10 (nsp10) 144
145 DB00115 qhd43415_10 -7.10 Cyanocobalamin Ligand Non-structural protein 10 (nsp10) 145
146 DB00290 qhd43415_10 -6.40 Bleomycin Ligand Non-structural protein 10 (nsp10) 146
147 DB00362 qhd43415_10 -6.80 Anidulafungin Ligand Non-structural protein 10 (nsp10) 147
148 DB00416 6lu7 -0.90 Metocurine iodide Ligand The crystal structure of COVID-19 main protease in complex with an inhibitor N3 148
149 DB00512 6nur -9.60 Vancomycin Ligand SARS-Coronavirus NSP12 bound to NSP7 and NSP8 co-factors 149
150 DB00569 qhd43415_1 -4.90 Fondaparinux Ligand Host translation inhibitor nsp1 150

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