1,3,4-Oxadiazole Derivatives: Synthesis, Characterization, Antimicrobial Potential, and Computational Studies

Table 7

Ligand-receptor interaction of synthesized 1,3,4-oxadiazole derivatives with peptide deformylase.

Compound	Docking score (binding energy)	Distance (Å)	Amino acid	Group involved in interaction with receptor
6e	−77.213	2.63	Lys 150	Oxygen of oxadiazole ring
		2.53	Lys 150	Nitrogen of oxadiazole ring
6f	−135.787	2.72	Lys 150	Nitrogen of oxadiazole ring
		2.88	Lys 150	Oxygen of oxadiazole ring
8e	−146.825	3.46	Lys 150	Nitrogen of oxadiazole ring
		4.27	Lys 150	Nitrogen of oxadiazole ring
8f	−138.439	3.50	Lys 150	Oxygen of oxadiazole ring
		3.21	Lys 150	Nitrogen of oxadiazole ring
		3.21	Lys 150	Nitrogen of oxadiazole ring
8h	−151.632	3.40	Lys 150	Oxygen of oxadiazole ring
		3.41	Lys 150	Nitrogen of oxadiazole ring
		3.19	Lys 150	Nitrogen of oxadiazole ring
13b	−88.30	3.19	Arg 97	Oxygen of oxadiazole ring
13c	−96.604	3.31	Lys 150	Nitrogen of oxadiazole ring
		3.49	Lys 150	Oxygen of oxadiazole ring
		2.69	Arg 97	Nitrogen of nitro group
13e	−153.44	2.95	Lys 157	Oxygen of hydroxyl group
		2.02	Arg 153	Oxygen of methoxy group
		3.26	Lys 150	Oxygen of oxadiazole ring
13g	−81.702	2.06	Arg 153	Oxygen of nitro group
		3.05	Arg 153	Oxygen of oxadiazole ring
Amoxicillin	−128.027	3.54	Arg 153	Oxygen of –COOH group
Cefixime	−153.288	2.76	Lys 150	Nitrogen of 𝛽-lactam