Synthesis, molecular docking and ADMET studies of bis-benzimidazole-based thiadiazole derivatives as potent inhibitors, in vitro a-amylase and a-glucosidase

Different research synthetic methods have been developed recently for the synthesis of bis-benzimidazole analogs to investigate various biological significances. In this present study, an attempt was made to synthesize a new series of bis-benzimidazole analogs in a fast and efficient method. A variety of spectroscopic techniques, including 13C NMR, 1H NMR, and HREI-MS, were used to establish the existence of every synthesized scaffold. Molecular docking profiles were also carried out to ascertain the binding interactions of the compounds. All derivatives (1-18) were evaluated for their biological potential to investigate the inhibitory activity of a-amylase and aglucosidase through SAR study. Almost all derivatives were found to be engaged in a highly promising activity when compared to referenced drug acarbose (IC50 = 8.24 +/- 0.08 mM), in this regard among the tested series analog 9 (IC50 = 0.10 +/- 0.50 and 0.20 +/- 0.50 mM respectively), showed excellent activity. Moreover, ADME predictions were also studied for potent compounds,(c) 2023 The Author(s). Published by Elsevier B.V. on behalf of King Saud University. This is an open access article under the CC BY-NC-ND license (http://creativecommons.org/licenses/by-nc-nd/4.0/).

Automated summary

Different synthetic methods have been developed recently to investigate the biological significances of bis-benzimidazole analogs. This study aimed to synthesize a new series of bis-benzimidazole analogs using a fast and efficient method. Spectroscopic techniques were used to confirm the synthesized scaffolds, and molecular docking was performed to analyze the binding interactions. The derivatives were evaluated for their inhibitory activity against α-amylase and α-glucosidase through SAR study. Compound 9 exhibited excellent activity compared to the referenced drug acarbose.