Academic Journal
Inhibitory Effect of Coumarins and Isocoumarins Isolated from the Stems and Branches of Acer mono Maxim. against Escherichia coli β-Glucuronidase
| العنوان: | Inhibitory Effect of Coumarins and Isocoumarins Isolated from the Stems and Branches of Acer mono Maxim. against Escherichia coli β-Glucuronidase |
|---|---|
| المؤلفون: | Nguyen Viet Phong, Byung Sun Min, Seo Young Yang, Jeong Ah Kim |
| المصدر: | Applied Sciences, Vol 12, Iss 20, p 10685 (2022) |
| بيانات النشر: | MDPI AG, 2022. |
| سنة النشر: | 2022 |
| المجموعة: | LCC:Technology LCC:Engineering (General). Civil engineering (General) LCC:Biology (General) LCC:Physics LCC:Chemistry |
| مصطلحات موضوعية: | Acer mono Maxim., isocoumarins, β-glucuronidase, non-competitive inhibitor, allosteric binding site, molecular dynamics, Technology, Engineering (General). Civil engineering (General), TA1-2040, Biology (General), QH301-705.5, Physics, QC1-999, Chemistry, QD1-999 |
| الوصف: | We isolated eight known secondary metabolites, including two isocoumarins and six coumarins, from the stems and branches of Acer mono Maxim. Their structures were confirmed using nuclear magnetic resonance spectroscopy and by comparing the data to published reports. The inhibitory effects of all compounds (1−8) on Escherichia coli β-glucuronidase were evaluated for the first time using in vitro assays. 3-(3,4-Dihydroxyphenyl)-8-hydroxyisocoumarin (1) displayed an inhibitory effect against β-glucuronidase (IC50 = 58.83 ± 1.36 μM). According to the findings of kinetic studies, compound 1 could function as a non-competitive inhibitor. Molecular docking indicated that compound 1 binds to the allosteric binding site of β-glucuronidase, and the results corroborated those from kinetic studies. Furthermore, molecular dynamics simulations of compound 1 were performed to identify the behavioral and dynamic properties of the protein–ligand complex. Our results reveal that compound 1 could be a lead metabolite for designing new β-glucuronidase inhibitors. |
| نوع الوثيقة: | article |
| وصف الملف: | electronic resource |
| اللغة: | English |
| تدمد: | 2076-3417 |
| Relation: | https://www.mdpi.com/2076-3417/12/20/10685; https://doaj.org/toc/2076-3417 |
| DOI: | 10.3390/app122010685 |
| URL الوصول: | https://doaj.org/article/bab5be12696e4249920fd13a2a54a4a5 |
| رقم الانضمام: | edsdoj.bab5be12696e4249920fd13a2a54a4a5 |
| قاعدة البيانات: | Directory of Open Access Journals |
Full Text Finder | تدمد: | 20763417 |
|---|---|
| DOI: | 10.3390/app122010685 |