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