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)
174721 HB13692 6nur -2.40 14310 Dimethyl tetrasulfide Ligand SARS-Coronavirus NSP12 bound to NSP7 and NSP8 co-factors Allium tuberosum Rottl. 174721
174722 HB13707 6nur -2.40 14311 Trimethylamine Ligand SARS-Coronavirus NSP12 bound to NSP7 and NSP8 co-factors Scorpion (Buthus martensii), Ligusticum chuanxiong 174722
174723 HB13688 6nur -2.10 14312 Dimethyl disulfide Ligand SARS-Coronavirus NSP12 bound to NSP7 and NSP8 co-factors Allium sativum L., Allium cepa L., Allium cepa L., Allium tuberosum Rottl., Allium sativum 174723
174724 HB13550 6nur -2.00 14313 Methylamine Ligand SARS-Coronavirus NSP12 bound to NSP7 and NSP8 co-factors Penaeus orientalis Kishinouye, Penaeus orientalis Kishinouye, Claviceps purpurea (Fr.) Tul., Chelidonium majus L., Chelidonium majus L. 174724
174725 HB14433 6nur -1.90 14314 Dimethyl sulfide Ligand SARS-Coronavirus NSP12 bound to NSP7 and NSP8 co-factors Allium sativum L., Allium sativum, Codium fragile (Sur.) Har., Codium fragile (Sur.) Har. 174725
174726 HB02715 6nur -1.80 14315 Formaldehyde Ligand SARS-Coronavirus NSP12 bound to NSP7 and NSP8 co-factors Achillea millefolium L., Arctium lappa L. 174726
174727 HB00486 6nur -1.40 14316 Atractyloside Ligand SARS-Coronavirus NSP12 bound to NSP7 and NSP8 co-factors Atractylodes lancea (Thunb.) DC. 174727
174728 HB01334 6nur -1.40 14317 sinigrin Ligand SARS-Coronavirus NSP12 bound to NSP7 and NSP8 co-factors Brassica juncea, Isatis indigotica 174728
174729 HB01832 6nur -1.40 14318 Hydrocyanic acid Ligand SARS-Coronavirus NSP12 bound to NSP7 and NSP8 co-factors Vicia sativa L., Vaccaria segetalis, Prunus pseudocerasus Lindl., Mangifera indica L., Chaenomeles lagenaria (Loisel.) Koidz., Eriobotrya japonica (Thunb.) Lindl., Triglochin maritimum L., Prunus mume (Sieb.) Sieb. et Zucc., Prunus amygdalus Batsch 174729
174730 HB04176 6nur -1.40 14319 Dipotassium rabdosiin Ligand SARS-Coronavirus NSP12 bound to NSP7 and NSP8 co-factors Arnebia euchroma (Royle) Johnst. 174730
174731 HB10041 6nur -1.40 14320 Myricatin Ligand SARS-Coronavirus NSP12 bound to NSP7 and NSP8 co-factors Myrica rubra (Lour.) Sieb. et Zucc. 174731
174732 HB13682 6nur -1.40 14321 Methyl mercaptan Ligand SARS-Coronavirus NSP12 bound to NSP7 and NSP8 co-factors Pelargonium graveolens L'H erit, Raphanus sativus 174732
174733 HB14318 6nur -1.40 14322 Magnesium lactate Ligand SARS-Coronavirus NSP12 bound to NSP7 and NSP8 co-factors Aloe. vera L. 174733
174734 HB10041 6nur -1.40 14323 Myricatin Ligand SARS-Coronavirus NSP12 bound to NSP7 and NSP8 co-factors Myrica rubra (Lour.) Sieb. et Zucc. 174734
174735 HB01793 6nur -1.10 14324 Paeonin Ligand SARS-Coronavirus NSP12 bound to NSP7 and NSP8 co-factors Magnolia liliflora Desr., Ulva lactuca L., Rauwolfia verticillata (Lour.) Baill. var. hainanensis Tsiang, Picrasma quassioides (D. Don) Benn., Solanum melongena L., Picrasma quassioides (D. Don) Benn., Paeonia albiflora 174735
174736 HB01794 6nur -1.10 14325 candicine Ligand SARS-Coronavirus NSP12 bound to NSP7 and NSP8 co-factors Phellodendron chinense 174736
174737 HB01795 6nur -1.10 14326 Malvidin-3,5-diglucoside Ligand SARS-Coronavirus NSP12 bound to NSP7 and NSP8 co-factors Lythrum salicaria L., Rhododendron simsii Planch., Celastrus angulatus Maxim., Celastrus angulatus Maxim., Vitis vinifera L. 174737

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