Academic Journal
Urease inhibitory potential of pyridine-containing triazolothiadiazole and triazolothiadiazine scaffolds for the treatment of ulceration and kidney stone: in vitro screening, kinetics mechanism, and in silico computational analysis.
| Τίτλος: | Urease inhibitory potential of pyridine-containing triazolothiadiazole and triazolothiadiazine scaffolds for the treatment of ulceration and kidney stone: in vitro screening, kinetics mechanism, and in silico computational analysis. |
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| Συγγραφείς: | Ullah S; Natural and Medical Sciences Research Center, University of Nizwa, Nizwa, Oman., Halim SA; Natural and Medical Sciences Research Center, University of Nizwa, Nizwa, Oman., Ibrar A; Department of Chemistry, Faculty of Natural Sciences, The University of Haripur, Haripur, Pakistan., Khan I; Department of Chemistry and Manchester Institute of Biotechnology, The University of Manchester, Manchester, UK., Ataya FS; Department of Biochemistry, College of Science, King Saud University, Riyadh, Saudi Arabia., Fouad D; Department of Zoology, College of Science, King Saud University, Riyadh, Saudi Arabia., Batiha GE; Department of Pharmacology and Therapeutics, Faculty of Veterinary Medicine, Damanhour University, Damanhour, AlBeheira, Egypt., Khan A; Natural and Medical Sciences Research Center, University of Nizwa, Nizwa, Oman., Al-Harrasi A; Natural and Medical Sciences Research Center, University of Nizwa, Nizwa, Oman. |
| Πηγή: | Journal of biomolecular structure & dynamics [J Biomol Struct Dyn] 2025 Feb; Vol. 43 (3), pp. 1249-1258. Date of Electronic Publication: 2023 Dec 28. |
| Τύπος έκδοσης: | Journal Article; Research Support, Non-U.S. Gov't |
| Γλώσσα: | English |
| Στοιχεία περιοδικού: | Publisher: Taylor & Francis Country of Publication: England NLM ID: 8404176 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1538-0254 (Electronic) Linking ISSN: 07391102 NLM ISO Abbreviation: J Biomol Struct Dyn Subsets: MEDLINE |
| Imprint Name(s): | Publication: June 2012- : Oxon, UK : Taylor & Francis Original Publication: Guilderland, NY : Adenine Press, [c1983- |
| Ιατρικοί όροι (MeSH): | Urease*/antagonists & inhibitors , Urease*/chemistry , Thiadiazoles*/chemistry , Thiadiazoles*/pharmacology , Pyridines*/chemistry , Pyridines*/pharmacology , Enzyme Inhibitors*/chemistry , Enzyme Inhibitors*/pharmacology , Enzyme Inhibitors*/therapeutic use , Thiadiazines*/chemistry , Thiadiazines*/pharmacology , Ulcer*/drug therapy, Molecular Docking Simulation ; Kinetics ; Humans ; Structure-Activity Relationship ; Molecular Structure ; Molecular Dynamics Simulation |
| Περίληψη: | The hyperactivity of urease enzyme leads to various complications including gastritis and peptic ulcer. A diverse variety of natural and synthetic inhibitors have shown a tremendous potential to inhibit the urease enzyme, thus decreasing the hyperactivity and reducing the risk for the development of urinary calculi and other similar problems. Therefore, we herein report a family of fused heterocycles such as triazolothiadiazoles (4a-h, 5a-f) and triazolothiadiazines (6a-h) as potential antiurease agents with IC |
| Contributed Indexing: | Keywords: Urease; enzyme inhibitors; fused heterocycles; molecular docking; triazolothiadiazine; triazolothiadiazole |
| Substance Nomenclature: | EC 3.5.1.5 (Urease) 0 (Thiadiazoles) 0 (Pyridines) 0 (Enzyme Inhibitors) 0 (Thiadiazines) NH9L3PP67S (pyridine) |
| Entry Date(s): | Date Created: 20231228 Date Completed: 20250421 Latest Revision: 20260628 |
| Update Code: | 20260628 |
| DOI: | 10.1080/07391102.2023.2291542 |
| PMID: | 38153364 |
| Βάση Δεδομένων: | MEDLINE |
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