Docking scoring, binding sites, hydrogen bond distances and the inhibition constants of the interaction of selected antibiotics and standard drugs with SARS-CoV-2(M pro ) (PDB ID: 6LU7), a prominent target receptor of inhibitors of the Severe Acute Respiratory Syndrome Coronavirus (SARS-CoV-2).

Contexts in source publication

Context 1

... molecular docking approach has found wide application because it offers predictions with a higher degree of accuracy of binding affinities, intermolecular interaction, and conformations of ligand's molecule at receptor's binding sites [26][27][28]. The docking scores of the ligands and standards against SARS-CoV-2 M pro (PDB ID: 6LU7) were as presented in Table 2. ...

Context 2

... interactions exhibit by other selected compounds (C-3 and C-4) are shown in (Fig. 8). Finally, a close examination of the amino acid residues obtained in the interactions of C-1, C-2, C-3 and C-4 (Fig. 8), and the amino acids in the active site (Table 2) affirmed that all the selected antibiotics share the same binding pocket with N3 native ligand, although C-1 (Tarivid) and C-2 (Ciprofloxacin) are more potent and interact better with target receptor (M pro ). ...