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Cyanoacetohydrazide linked to 1,2,3-triazole derivatives: a new class of α-glucosidase inhibitors

Aida Iraji, Diba Shareghi-Brojeni, Somayeh Mojtabavi, Mohammad Ali Faramarzi, Tahmineh Akbarzadeh, Mina Saeedi

2022Scientific Reports46 citationsDOIOpen Access PDF

Abstract

Abstract In this work, a novel series of cyanoacetohydrazide linked to 1,2,3-triazoles ( 9a – n ) were designed and synthesized to be evaluated for their anti-α-glucosidase activity, focusing on the fact that α-glucosidase inhibitors have played a significant role in the management of type 2 diabetes mellitus. All synthesized compounds except 9a exhibited excellent inhibitory potential, with IC 50 values ranging from 1.00 ± 0.01 to 271.17 ± 0.30 μM when compared to the standard drug acarbose (IC 50 = 754.1 ± 0.5 μM). The kinetic binding study indicated that the most active derivatives 9b (IC 50 = 1.50 ± 0.01 μM) and 9e (IC 50 = 1.00 ± 0.01 μM) behaved as the uncompetitive inhibitors of α-glucosidase with K i = 0.43 and 0.24 μM, respectively. Moreover, fluorescence measurements were conducted to show conformational changes of the enzyme after binding of the most potent inhibitor ( 9e ). Calculation of standard enthalpy (Δ H m °) and entropy (Δ S m °) values confirmed the construction of hydrophobic interactions between 9e and the enzyme. Also, docking studies indicated desired interactions with important residues of the enzyme which rationalized the in vitro results.

Topics & Concepts

AcarboseIC50ChemistryEnzymeDocking (animal)Stereochemistry1,2,4-TriazoleActive siteTriazoleIn vitroCombinatorial chemistryBiochemistryMedicinal chemistryOrganic chemistryMedicineNursingNatural Antidiabetic Agents StudiesClick Chemistry and ApplicationsSynthesis and biological activity