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Synthesis and Structure–Activity Relationship Studies of Benzimidazole-Thioquinoline Derivatives As Α-Glucosidase Inhibitors Publisher Pubmed



Moghadam Farid S1 ; Noori M1 ; Nazari Montazer M1 ; Khalili Ghomi M1 ; Mollazadeh M1 ; Dastyafteh N1 ; Irajie C2 ; Zomorodian K3 ; Mirfazli SS4 ; Mojtabavi S5 ; Faramarzi MA5 ; Larijani B1 ; Iraji A6, 7 ; Mahdavi M1
Authors

Source: Scientific Reports Published:2023


Abstract

In this article, different s-substituted benzimidazole-thioquinoline derivatives were designed, synthesized, and evaluated for their possible α-glucosidase inhibitory activities. The most active compound in this series, 6j (X = 4-bromobenzyl) exhibited significant potency with an IC50 value of 28.0 ± 0.6 µM compared to acarbose as the positive control with an IC50 value of 750.0 µM. The kinetic study showed a competitive inhibition pattern against α-glucosidase for the 6j derivative. Also, the molecular dynamic simulations were performed to determine key interactions between compounds and the targeted enzyme. The in silico pharmacodynamics and ADMET properties were executed to illustrate the druggability of the novel derivatives. In general, it can be concluded that these derivatives can serve as promising leads to the design of potential α-glucosidase inhibitors. © 2023, The Author(s).
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