Academic Journal
Ultrasound-assisted 1,2,4-triazole Schiff bases: synthesis, characterization, docking, and dual inhibition of urease and α-glucosidase.
| Τίτλος: | Ultrasound-assisted 1,2,4-triazole Schiff bases: synthesis, characterization, docking, and dual inhibition of urease and α-glucosidase. |
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| Συγγραφείς: | Gültekin E; Science-Technology Research and Application Center, Artvin Coruh University, Artvin, Türkiye. |
| Πηγή: | Future medicinal chemistry [Future Med Chem] 2026 Jul; Vol. 18 (13), pp. 1701-1711. Date of Electronic Publication: 2026 May 19. |
| Τύπος έκδοσης: | Journal Article |
| Γλώσσα: | English |
| Στοιχεία περιοδικού: | Publisher: Taylor & Francis Country of Publication: England NLM ID: 101511162 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1756-8927 (Electronic) Linking ISSN: 17568919 NLM ISO Abbreviation: Future Med Chem Subsets: MEDLINE |
| Imprint Name(s): | Publication: 2024- : [Milton Park, Oxfordshire] : Taylor & Francis Original Publication: London : Future Science, 2009- |
| Ιατρικοί όροι (MeSH): | Triazoles*/chemistry , Triazoles*/pharmacology , Triazoles*/chemical synthesis , Urease*/antagonists & inhibitors , Urease*/metabolism , alpha-Glucosidases*/metabolism , Glycoside Hydrolase Inhibitors*/chemistry , Glycoside Hydrolase Inhibitors*/chemical synthesis , Glycoside Hydrolase Inhibitors*/pharmacology , Enzyme Inhibitors*/chemical synthesis , Enzyme Inhibitors*/chemistry , Enzyme Inhibitors*/pharmacology , Ultrasonic Waves*, Schiff Bases/chemistry ; Schiff Bases/pharmacology ; Schiff Bases/chemical synthesis ; Molecular Docking Simulation ; Structure-Activity Relationship ; Molecular Structure |
| Περίληψη: | Aim: This study aimed to design and synthesize novel 3-pentyl-substituted 1,2,4-triazole-5-thione Schiff base derivatives and evaluate their dual inhibitory potential against urease and α-glucosidase enzymes. Materials and Methods: The target compounds (6a-e) were synthesized via an ultrasound-assisted condensation method under mild conditions. Structural characterization was performed using Fourier Transform Infrared (FT-IR), 1H/13C nuclear magnetic resonance (NMR), and Liquid chromatography mass spectrometry (LC-MS) analyses. Enzyme inhibitory activities were evaluated using standard spectrophotometric assays, while molecular docking studies were conducted to investigate binding interactions. In silico absorption, distribution, metabolism, and excretion (ADME) properties were predicted using SwissADME. Results: All compounds exhibited measurable inhibitory activity against both enzymes. Among them, compound 6c demonstrated the highest potency (urease IC Conclusions: The results highlight the potential of triazole-Schiff base hybrids as dual-enzyme inhibitors, with compound 6c identified as a promising lead for further optimization. |
| Contributed Indexing: | Keywords: Triazole-schiff bases; molecular docking; ultrasound-assisted; urease; α-glucosidase Local Abstract: [plain-language-summary] This study focuses on developing new chemical compounds that may help treat two important health problems: stomach infections and type 2 diabetes. These conditions are linked to two key enzymes in the body, called urease and α-glucosidase. Urease plays a role in the survival of harmful bacteria in the stomach, while α-glucosidase is involved in the digestion of carbohydrates and the control of blood sugar levels.We designed and synthesized a group of new molecules based on a chemical structure known as a triazole Schiff base. These compounds were prepared using an ultrasound-assisted method, which is a fast and efficient way to produce chemical substances under mild conditions.The biological activity of the compounds was tested to see how well they could block (inhibit) the two target enzymes. Among the tested molecules, one compound showed particularly strong activity against both enzymes, with effectiveness close to that of commonly used reference drugs.In addition, computer-based simulations were used to understand how these compounds interact with the enzymes at the molecular level. These analyses supported the experimental results and helped explain why the most active compound performed better.Overall, the findings suggest that these newly developed compounds, especially the most active one, could serve as promising starting points for the development of new treatments targeting both stomach-related infections and blood sugar control. Further studies will be needed to confirm their safety and effectiveness. |
| Substance Nomenclature: | 0 (Triazoles) EC 3.5.1.5 (Urease) EC 3.2.1.20 (alpha-Glucosidases) 0 (Schiff Bases) 0 (Glycoside Hydrolase Inhibitors) 288-88-0 (1,2,4-triazole) 0 (Enzyme Inhibitors) |
| Entry Date(s): | Date Created: 20260519 Date Completed: 20260701 Latest Revision: 20260706 |
| Update Code: | 20260707 |
| DOI: | 10.1080/17568919.2026.2675977 |
| PMID: | 42153268 |
| Βάση Δεδομένων: | MEDLINE |
| ISSN: | 1756-8927 |
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| DOI: | 10.1080/17568919.2026.2675977 |