{"database":"biostudies-literature","file_versions":[],"scores":null,"additional":{"omics_type":["Unknown"],"volume":["47(1)"],"submitter":["Hanaa S Mohamed"],"pubmed_abstract":["The present study aimed to synthesis <i>N</i>-substituted-5-(4-chloroquinolin-2-yl)-1,3,4-thiadiazol-2-amine derivatives. Molecular docking study of the synthesized compounds was carried out. COVID-19 docked with the synthesized compounds and the results indicated that the binding energies of docking 6LU7 with native ligand, and the synthesized compounds were -8.1, -8.0, -7.7, -7.5, -7.4, -7.3, -7.2, -6.7, -6.6, -6.5, and -5.4 kcal/mol.<h4>Supplementary information</h4>The online version contains supplementary material available at 10.1134/S1068162021010155."],"journal":["Russian journal of bioorganic chemistry"],"pagination":["158-165"],"full_dataset_link":["https://www.ebi.ac.uk/biostudies/studies/S-EPMC7980798"],"repository":["biostudies-literature"],"pubmed_title":["Synthesis, Molecular Docking, In Silico ADME Predictions, and Toxicity Studies of <i>N</i>-Substituted-5-(4-Chloroquinolin-2-yl)-1,3,4-Thiadiazol-2-Amine Derivatives as COVID-19 Inhibitors."],"pmcid":["PMC7980798"],"pubmed_authors":["Hanaa S Mohamed","El-Serwy WS"],"additional_accession":[]},"is_claimable":false,"name":"Synthesis, Molecular Docking, In Silico ADME Predictions, and Toxicity Studies of <i>N</i>-Substituted-5-(4-Chloroquinolin-2-yl)-1,3,4-Thiadiazol-2-Amine Derivatives as COVID-19 Inhibitors.","description":"The present study aimed to synthesis <i>N</i>-substituted-5-(4-chloroquinolin-2-yl)-1,3,4-thiadiazol-2-amine derivatives. Molecular docking study of the synthesized compounds was carried out. COVID-19 docked with the synthesized compounds and the results indicated that the binding energies of docking 6LU7 with native ligand, and the synthesized compounds were -8.1, -8.0, -7.7, -7.5, -7.4, -7.3, -7.2, -6.7, -6.6, -6.5, and -5.4 kcal/mol.<h4>Supplementary information</h4>The online version contains supplementary material available at 10.1134/S1068162021010155.","dates":{"release":"2021-01-01T00:00:00Z","publication":"2021","modification":"2026-05-03T09:27:51.853Z","creation":"2022-02-09T10:18:03.611Z"},"accession":"S-EPMC7980798","cross_references":{"pubmed":["33776395"],"doi":["10.1134/S1068162021010155"]}}