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Synthesis, Molecular Docking, In Silico ADME Predictions, and Toxicity Studies of N-Substituted-5-(4-Chloroquinolin-2-yl)-1,3,4-Thiadiazol-2-Amine Derivatives as COVID-19 Inhibitors.


ABSTRACT: The present study aimed to synthesis N-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.

Supplementary information

The online version contains supplementary material available at 10.1134/S1068162021010155.

SUBMITTER: Hanaa S Mohamed 

PROVIDER: S-EPMC7980798 | biostudies-literature |

REPOSITORIES: biostudies-literature

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