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Sci Rep ; 14(1): 388, 2024 01 03.
Article in English | MEDLINE | ID: mdl-38172167

ABSTRACT

Regarding the important role of α-glucosidase enzyme in the management of type 2 diabetes mellitus, the current study was established to design and synthesize aryl-quinoline-4-carbonyl hydrazone bearing different 2-methoxyphenoxyacetamide (11a-o) and the structure of all derivatives was confirmed through various techniques including IR, 1H-NMR, 13C-NMR and elemental analysis. Next, the α-glucosidase inhibitory potentials of all derivatives were evaluated, and all compounds displayed potent inhibition with IC50 values in the range of 26.0 ± 0.8-459.8 ± 1.5 µM as compared to acarbose used as control, except 11f and 11l. Additionally, in silico-induced fit docking and molecular dynamics studies were performed to further investigate the interaction, orientation, and conformation of the newly synthesized compounds over the active site of α-glucosidase.


Subject(s)
Diabetes Mellitus, Type 2 , Quinolines , Humans , Glycoside Hydrolase Inhibitors/pharmacology , Glycoside Hydrolase Inhibitors/chemistry , Molecular Dynamics Simulation , alpha-Glucosidases/metabolism , Hydrazones/pharmacology , Hydrazones/chemistry , Molecular Docking Simulation , Saccharomyces cerevisiae/metabolism , Structure-Activity Relationship , Quinolines/chemistry , Kinetics , Molecular Structure
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