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.

Just type few intial letters and select from drop down
Sr No Ligand Target Binding Energy Docking Ranksort descending Generic Name Type Name of Target Name of Plant Edit Docking Score (General)
174691 HB13682 6vsb -1.30 14281 Methyl mercaptan Ligand Prefusion 2019-nCoV spike glycoprotein with a single receptor-binding domain up Pelargonium graveolens L'H erit, Raphanus sativus 174691
174692 HB14318 6vsb -1.30 14282 Magnesium lactate Ligand Prefusion 2019-nCoV spike glycoprotein with a single receptor-binding domain up Aloe. vera L. 174692
174693 HB13694 6nur -3.10 14282 Allyl methyl pentasulfide Ligand SARS-Coronavirus NSP12 bound to NSP7 and NSP8 co-factors Allium sativum L., Allium sativum 174693
174694 HB14031 6nur -3.10 14283 Glyoxal Ligand SARS-Coronavirus NSP12 bound to NSP7 and NSP8 co-factors Zingiber officinale 174694
174695 HB14437 6nur -3.10 14284 methyl,cis-1-propenyl,disulfide Ligand SARS-Coronavirus NSP12 bound to NSP7 and NSP8 co-factors Allium chinense 174695
174696 HB14439 6nur -3.10 14285 ethyl,trans-1-propenyl,disulfide Ligand SARS-Coronavirus NSP12 bound to NSP7 and NSP8 co-factors Allium chinense 174696
174697 HB02296 6nur -3.00 14286 Formic acid Ligand SARS-Coronavirus NSP12 bound to NSP7 and NSP8 co-factors Urtica cannabina L., Typha latifolia L., Ginkgo biloba L. 174697
174698 HB13691 6nur -3.00 14287 Methyl propyl trisulfide Ligand SARS-Coronavirus NSP12 bound to NSP7 and NSP8 co-factors Allium sativum L., Allium sativum 174698
174699 HB13698 6nur -3.00 14288 Trimethylamine oxide Ligand SARS-Coronavirus NSP12 bound to NSP7 and NSP8 co-factors Penaeus orientalis Kishinouye 174699
174700 HB14435 6nur -3.00 14289 methyl,trans-1-propenyl,trisulfide Ligand SARS-Coronavirus NSP12 bound to NSP7 and NSP8 co-factors Allium chinense 174700
174701 HB02297 6nur -2.90 14290 methyl ganoderate F Ligand SARS-Coronavirus NSP12 bound to NSP7 and NSP8 co-factors Ganoderma lucidum (Leyss. ex Fr.) Karst., Ganoderma lucidum 174701
174702 HB02704 6nur -2.90 14291 Methyl allyl sulfide Ligand SARS-Coronavirus NSP12 bound to NSP7 and NSP8 co-factors Allium sativum L., Zingiber officinale, Allium sativum, Zingiber officinale 174702
174703 HB02714 6nur -2.90 14292 Divinyl sulfide Ligand SARS-Coronavirus NSP12 bound to NSP7 and NSP8 co-factors Allium sativum 174703
174704 HB13407 6nur -2.90 14293 Propionaldehyde Ligand SARS-Coronavirus NSP12 bound to NSP7 and NSP8 co-factors Zingiber officinale 174704
174705 HB13539 6nur -2.90 14294 Methyl propyl disulfide Ligand SARS-Coronavirus NSP12 bound to NSP7 and NSP8 co-factors Allium sativum L., Allium sativum, Allium schoenoprasum L., Gardenia florida, Allium schoenoprasum L., Gardenia jasminoides 174705
174706 HB13542 6nur -2.90 14295 Ethylamine Ligand SARS-Coronavirus NSP12 bound to NSP7 and NSP8 co-factors Viverra zibetha L. 174706
174707 HB13687 6nur -2.90 14296 3-Methylthiopropyl isothiocyanate Ligand SARS-Coronavirus NSP12 bound to NSP7 and NSP8 co-factors Brassica juncea (L.) Czern. et Coss. 174707
174708 HB14035 6nur -2.90 14297 sec-o-acetylbyakangelicin Ligand SARS-Coronavirus NSP12 bound to NSP7 and NSP8 co-factors Angelica dahurica 174708
174709 HB14438 6nur -2.90 14298 ethyl,methyl,trisulfide Ligand SARS-Coronavirus NSP12 bound to NSP7 and NSP8 co-factors Allium chinense 174709
174710 HB13371 6nur -2.80 14299 Hentriacontane Ligand SARS-Coronavirus NSP12 bound to NSP7 and NSP8 co-factors Oenanthe crocata, Trichosanthes rosthornii Harms, Trichosanthes rosthornii Harms, Plantago asiatica L, Dracaena cochinchinensis (Lour.) S.C. Chen, Lycopersicon esculentum Mill., Panax notoginseng, Pyrola japonica Klenze ex Alef. 174710
174711 HB14394 6nur -2.80 14300 Eicosanol Ligand SARS-Coronavirus NSP12 bound to NSP7 and NSP8 co-factors Vallisneria spiralis L. 174711
174712 HB14441 6nur -2.80 14301 ethyl,methyl,disulfide Ligand SARS-Coronavirus NSP12 bound to NSP7 and NSP8 co-factors Allium chinense 174712
174713 HB02344 6nur -2.70 14302 ethanol Ligand SARS-Coronavirus NSP12 bound to NSP7 and NSP8 co-factors Artemisia argyi 174713
174714 HB13543 6nur -2.70 14303 Nonacosanol Ligand SARS-Coronavirus NSP12 bound to NSP7 and NSP8 co-factors Ephedra intermedia, Artemisia annua L. 174714
174715 HB13549 6nur -2.70 14304 Diethyl sulfide Ligand SARS-Coronavirus NSP12 bound to NSP7 and NSP8 co-factors Zingiber officinale 174715
174716 HB12997 6nur -2.60 14305 Dithiocyclopentene Ligand SARS-Coronavirus NSP12 bound to NSP7 and NSP8 co-factors Allium sativum L., Allium sativum, Atractylodes lancea (Thunb.) DC. 174716
174717 HB13538 6nur -2.60 14306 Propane-1-thiol Ligand SARS-Coronavirus NSP12 bound to NSP7 and NSP8 co-factors Allium cepa L., Solanum tuberosum, Phaseolus vulgaris L. 174717
174718 HB13183 6nur -2.50 14307 Propane-2-thiol Ligand SARS-Coronavirus NSP12 bound to NSP7 and NSP8 co-factors Solanum tuberosum 174718
174719 HB13272 6nur -2.50 14308 Ethyl aldehyde Ligand SARS-Coronavirus NSP12 bound to NSP7 and NSP8 co-factors Triglochin maritimum L., Triglochin maritimum L., Arctium lappa L. 174719
174720 HB13689 6nur -2.40 14309 Dimethyl trisulfide Ligand SARS-Coronavirus NSP12 bound to NSP7 and NSP8 co-factors Allium sativum L., Allium sativum 174720

Pages