Biological and computational evaluation of  carbazole-based bis-thiosemicarbazones:  A selective enzyme inhibition study between  α-amylase and α-glucosidase

Şahin, Hasan; Bingül, Alev Arslantürk; Şengül, İbrahim; Bingül, Murat

doi:10.26650/istanbuljpharm.2023.1164443

Cited by 2 publications

(1 citation statement)

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“…[34][35][36] Thiosemicarbazone derivatives exhibit notable antidiabetic activity having exceptional inhibitory effects against α-glucosidase, dipeptidyl peptidase-4, α-amylase, aldose reductase (ALR2), aldehyde reductase (ALR1), and glycogen phosphorylase. [37][38][39] Studies have shown that thiosemicarbazones when connected with different heterocycles exhibit antidiabetic properties.…”

Section: Introductionmentioning

confidence: 99%

Synthesis of the chromone‐thiosemicarbazone scaffold as promising α‐glucosidase inhibitors: An in vitro and in silico approach toward antidiabetic drug design

Alharthy,

Khalid,

Fatima

et al. 2024

Archiv der Pharmazie

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Diabetes is a serious metabolic disorder affecting individuals of all age groups and prevails globally due to the failure of previous treatments. This study aims to address the most prevalent form of type 2 diabetes mellitus (T2DM) by reporting on the design, synthesis, and in vitro as well as in silico evaluation of chromone‐based thiosemicarbazones as potential α‐glucosidase inhibitors. In vitro experiments showed that the tested compounds were significantly more potent than the standard acarbose, with the lead compound 3n exhibiting an IC50 value of 0.40 ± 0.02 μM, ~2183‐fold higher than acarbose having an IC50 of 873.34 ± 1.67 μM. A kinetic mechanism analysis demonstrated that compound 3n exhibited reversible inhibition of α‐glucosidase. To gain deeper insights, in silico molecular docking, pharmacokinetics, and molecular dynamics simulations were conducted for the investigation of the interactions, orientation, stability, and conformation of the synthesized compounds within the active pocket of α‐glucosidase.

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