Synthesis, molecular docking and molecular dynamic simulation studies of 2-chloro-5-[(4-chlorophenyl)sulfamoyl]-N-(alkyl/aryl)-4-nitrobenzamide derivatives as antidiabetic agents

Table 2 α-Glucosidase and α-amylase inhibitory activity (IC₅₀) of synthesized derivatives (5a–5v) and their docking affinity with α-glucosidase (modeled protein) and α-amylase (PDB-1qho)

Comp.	IC₅₀ α-glucosidase (µM)	Binding score (α-glucosidase: modeled protein)	IC₅₀ α-amylase (µM)	Binding score (α-amylase: 1qho)
5a	31.39 ± 1.66	− 9.4	7.40 ± 0.15	− 8.9
5b	24.78 ± 2.69	− 9.7	5.30 ± 1.23	− 9.0
5c	26.77 ± 1.13	− 9.3	8.00 ± 0.71	− 9.8
5d	38.57 ± 0.01	− 9.2	38.00 ± 0.51	− 9.1
5e	41.75 ± 1.08	− 9.3	50.30 ± 0.21	− 8.7
5f	50.24 ± 0.89	− 9.4	16.00 ± 0.33	− 9.7
5g	35.92 ± 0.60	− 9.6	16.70 ± 0.41	− 9.8
5h	40.64 ± 1.49	− 9.6	19.30 ± 0.63	− 9.7
5i	14.02 ± 0.93	− 9.5	27.12 ± 0.51	− 8.5
5j	15.75 ± 0.90	− 9.6	20.90 ± 1.24	− 9.5
5k	36.93 ± 1.30	− 9.7	12.50 ± 0.91	− 8.8
5l	29.01 ± 0.86	− 9.3	6.30 ± 0.42	− 9.3
5m	24.47 ± 1.23	− 9.4	1.52 ± 0.84	− 9.7
5n	29.54 ± 1.53	− 9.4	35.30 ± 0.45	− 9.6
5o	10.75 ± 0.52	− 9.3	00.90 ± 0.31	− 9.2
5p	19.51 ± 0.43	− 9.4	02.10 ± 0.52	− 9.1
5q	43.88 ± 1.18	− 9.4	11.20 ± 0.67	− 9.0
5r	34.36 ± 0.62	− 9.7	15.30 ± 1.24	− 9.4
5s	106.23 ± 0.61	− 8.2	48.05 ± 0.23	− 7.9
5t	130.90 ± 2.42	− 8.6	55.14 ± 0.71	− 8.3
5u	89.04 ± 1.76	− 8.9	38.20 ± 0.34	− 8.6
5v	52.37 ± 1.92	− 9.0	40.40 ± 0.87	− 8.9
Acarbose	39.48 ± 0.88	− 8.0	5.60 ± 0.30	− 8.4

ISSN: 2661-801X