Evaluation of the hypoglycemic potential of 6-(4-ethyl-5-mercapto-4H-1,2,4-triazol-3-yl)pyrimidine-2,4(1H,3H)-dione derivatives DOI Creative Commons
Yu. V. Karpenko, О. І. Панасенко, В. В. Парченко

et al.

Farmatsevtychnyi zhurnal, Journal Year: 2025, Volume and Issue: 1, P. 45 - 57

Published: Feb. 26, 2025

Type 2 diabetes mellitus is one of the most prevalent metabolic diseases worldwide, characterized by chronic hyperglycemia and development severe complications. A key approach to its treatment involves use α-glucosidase inhibitors, which slow carbohydrate absorption in intestine thereby reduce postprandial hyperglycemia. In search for new biologically active compounds, 1,2,4-triazole derivatives have garnered significant interest due their broad spectrum pharmacological properties, including hypoglycemic activity. The aim this study evaluate potential inhibitory activity S-derivatives 6-(4-ethyl-5-mercapto-4H-1,2,4-triazol-3-yl)pyrimidine-2,4(1H,3H)-diones against assess as agents. To investigate studied molecular modeling (in silico analysis) was employed, specifically using docking method. conducted AutoDock Vina software, enabling prediction interactions between synthesized site α-glucosidase. obtained results were analyzed based on binding energy values, interaction configurations, presence hydrogen bonds with amino acid residues enzyme. Molecular revealed that exhibit high affinity promising compounds demonstrated energies ranging from -8.5 -9.2 kcal/mol, are comparable or exceed known inhibitors Interaction analysis indicated functional groups form hydrophobic enzyme’s site, suggesting stability these complexes biological environments. findings highlight effective inhibitors. Their along favorable parameters, supports further investigation candidates drugs.

Language: Английский

Evaluation of the hypoglycemic potential of 6-(4-ethyl-5-mercapto-4H-1,2,4-triazol-3-yl)pyrimidine-2,4(1H,3H)-dione derivatives DOI Creative Commons
Yu. V. Karpenko, О. І. Панасенко, В. В. Парченко

et al.

Farmatsevtychnyi zhurnal, Journal Year: 2025, Volume and Issue: 1, P. 45 - 57

Published: Feb. 26, 2025

Type 2 diabetes mellitus is one of the most prevalent metabolic diseases worldwide, characterized by chronic hyperglycemia and development severe complications. A key approach to its treatment involves use α-glucosidase inhibitors, which slow carbohydrate absorption in intestine thereby reduce postprandial hyperglycemia. In search for new biologically active compounds, 1,2,4-triazole derivatives have garnered significant interest due their broad spectrum pharmacological properties, including hypoglycemic activity. The aim this study evaluate potential inhibitory activity S-derivatives 6-(4-ethyl-5-mercapto-4H-1,2,4-triazol-3-yl)pyrimidine-2,4(1H,3H)-diones against assess as agents. To investigate studied molecular modeling (in silico analysis) was employed, specifically using docking method. conducted AutoDock Vina software, enabling prediction interactions between synthesized site α-glucosidase. obtained results were analyzed based on binding energy values, interaction configurations, presence hydrogen bonds with amino acid residues enzyme. Molecular revealed that exhibit high affinity promising compounds demonstrated energies ranging from -8.5 -9.2 kcal/mol, are comparable or exceed known inhibitors Interaction analysis indicated functional groups form hydrophobic enzyme’s site, suggesting stability these complexes biological environments. findings highlight effective inhibitors. Their along favorable parameters, supports further investigation candidates drugs.

Language: Английский

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