Design, synthesis, in-vitro and in-silico studies of novel N-heterocycle based hydrazones as α-glucosidase inhibitors

Bioorganic Chemistry, Год журнала: 2025, Номер 156, С. 108155 - 108155

Опубликована: Янв. 10, 2025

Язык: Английский

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Design, synthesis, structural characterization, in vitro anticancer activity and in silico studies of some new hydroxylated and fluorinated-substituted hydrazone derivatives

Chemical Physics Impact, Год журнала: 2025, Номер unknown, С. 100829 - 100829

Опубликована: Янв. 1, 2025

Язык: Английский

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Synthesis, in vitro, and in silico studies of 7-fluorochromone based thiosemicarbazones as α-glucosidase inhibitors

Scientific Reports, Год журнала: 2025, Номер 15(1)

Опубликована: Март 21, 2025

Increased blood sugar is a typical manifestation of Type-2 Diabetes Mellitus (T2DM), metabolic disorder that can be effectively managed with the help α-glucosidase inhibitors. A range new chromone based thiosemicarbazone derivatives (3a-t) was synthesized and assessed due to their ability suppress in this research. Having IC50 values spanning from 6.40 ± 0.15 62.81 0.79 μM, compounds demonstrated strong inhibitory actions. The compound 3 k showed most effect among all them, by an measurement µM. It concluded through structure–activity relationship (SAR) assessment various substituents on moieties had significant impact differences inhibition. Molecular docking experiments provide light important interactions, including π-π interactions hydrogen bridges, between role carbothioamide chromenyl groups ligand attachment critical residues α-glucosidase. binding alignment, stability, structural arrangement prepared molecules catalytic pocket were explored using silico strategies such as studies, pharmacokinetic analysis, molecular dynamics simulations. This investigation directed find favorable profiles for future progress potential therapeutic agents type 2 diabetes. Importantly, when benchmarking against acarbose, lead candidate substantially greater efficacy.

Язык: Английский

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Design, Synthesis, in Vitro and Molecular Docking-Dynamics Studies of 5-(Diethylamino)-2-Formylphenyl Naphthalene-2-Sulfonate Based Thiosemicarbazones as Potent Anti-Alzheimer Agents

Опубликована: Янв. 1, 2024

Язык: Английский

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