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)
151 DB00106 qhd43415_10 -7.10 Abarelix Ligand Non-structural protein 10 (nsp10) 151
152 DB00626 6vsb -6.30 Bacitracin Ligand Prefusion 2019-nCoV spike glycoprotein with a single receptor-binding domain up 152
153 DB00091 qhd43415_10 -5.40 Cyclosporine Ligand Non-structural protein 10 (nsp10) 153
154 DB00050 qhd43415_1 -6.40 Cetrorelix Ligand Host translation inhibitor nsp1 154
155 DB00115 6vsb -6.90 Cyanocobalamin Ligand Prefusion 2019-nCoV spike glycoprotein with a single receptor-binding domain up 155
156 DB00207 qhd43415_10 -7.80 Azithromycin Ligand Non-structural protein 10 (nsp10) 156
157 DB00080 qhd43415_10 -4.80 Daptomycin Ligand Non-structural protein 10 (nsp10) 157
158 DB00104 qhd43415_10 -7.40 Octreotide Ligand Non-structural protein 10 (nsp10) 158
159 DB00207 qhd43421 -5.50 Azithromycin Ligand ORF7a. 159
160 DB00027 6lu7 -6.90 Gramicidin D Ligand The crystal structure of COVID-19 main protease in complex with an inhibitor N3 160
161 DB00403 qhd43415_1 -6.60 Ceruletide Ligand Host translation inhibitor nsp1 161
162 DB00512 6nur -9.60 Vancomycin Ligand SARS-Coronavirus NSP12 bound to NSP7 and NSP8 co-factors 162
163 DB00337 6vsb -7.00 Pimecrolimus Ligand Prefusion 2019-nCoV spike glycoprotein with a single receptor-binding domain up 163
164 DB00511 6lu7 -9.30 Acetyldigitoxin Ligand The crystal structure of COVID-19 main protease in complex with an inhibitor N3 164
165 DB00207 qhd43418 -5.20 Azithromycin Ligand E. 165
166 DB00014 6nur -9.30 Goserelin Ligand SARS-Coronavirus NSP12 bound to NSP7 and NSP8 co-factors 166
167 DB00483 6vsb -1.00 Gallamine triethiodide Ligand Prefusion 2019-nCoV spike glycoprotein with a single receptor-binding domain up 167
168 DB00403 6nur -8.10 Ceruletide Ligand SARS-Coronavirus NSP12 bound to NSP7 and NSP8 co-factors 168
169 DB00314 6vsb -7.00 Capreomycin Ligand Prefusion 2019-nCoV spike glycoprotein with a single receptor-binding domain up 169
170 DB00007 6vsb -6.60 Leuprolide Ligand Prefusion 2019-nCoV spike glycoprotein with a single receptor-binding domain up 170
171 DB00035 qhd43415_10 -7.60 Desmopressin Ligand Non-structural protein 10 (nsp10) 171
172 DB00091 6nur -7.30 Cyclosporine Ligand SARS-Coronavirus NSP12 bound to NSP7 and NSP8 co-factors 172
173 DB00115 6nur -7.80 Cyanocobalamin Ligand SARS-Coronavirus NSP12 bound to NSP7 and NSP8 co-factors 173
174 DB00314 qhd43415_10 -7.10 Capreomycin Ligand Non-structural protein 10 (nsp10) 174
175 DB00364 6nur -1.90 Sucralfate Ligand SARS-Coronavirus NSP12 bound to NSP7 and NSP8 co-factors 175
176 DB00483 6lu7 -0.90 Gallamine triethiodide Ligand The crystal structure of COVID-19 main protease in complex with an inhibitor N3 176
177 DB00520 6lu7 -6.10 Caspofungin Ligand The crystal structure of COVID-19 main protease in complex with an inhibitor N3 177
178 DB00569 qhd43415_10 -6.30 Fondaparinux Ligand Non-structural protein 10 (nsp10) 178
179 DB00615 6lu7 -7.70 Rifabutin Ligand The crystal structure of COVID-19 main protease in complex with an inhibitor N3 179
180 DB00207 qhd43419 -7.40 Azithromycin Ligand M. 180

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