دورية أكاديمية
Validation of the antioxidant and enzyme inhibitory potential of selected triterpenes using in vitro and in silico studies, and the evaluation of their admet properties
| العنوان: | Validation of the antioxidant and enzyme inhibitory potential of selected triterpenes using in vitro and in silico studies, and the evaluation of their admet properties |
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| المؤلفون: | Mamadalieva N. Z., Youssef F. S., Hussain H., Zengin G., Mollica A., Musayeib N. M. A., Ashour M. L., Westermann B., Wessjohann L. A. |
| المساهمون: | Mamadalieva, N. Z., Youssef, F. S., Hussain, H., Zengin, G., Mollica, A., Musayeib, N. M. A., Ashour, M. L., Westermann, B., Wessjohann, L. A. |
| سنة النشر: | 2021 |
| المجموعة: | ARUd'A - Archivio Istituzionale della ricerca dell'università Chieti-Pescara (IRIS) |
| مصطلحات موضوعية: | Alzheimer’s disease, Antioxidant, Enzyme inhibition, In vitro assay, Inflamma-tion, Triterpene, Virtual screening |
| الوصف: | The antioxidant and enzyme inhibitory potential of fifteen cycloartane-type triterpenes’ potentials were investigated using different assays. In the phosphomolybdenum method, cycloalpio-side D (6) (4.05 mmol TEs/g) showed the highest activity. In 1,1-diphenyl-2-picrylhydrazyl (DPPH*) radical and 2,2′-azino-bis(3-ethylbenzothiazoline)-6-sulfonic acid (ABTS) cation radical scavenging as-says, cycloorbicoside A-7-monoacetate (2) (5.03 mg TE/g) and cycloorbicoside B (10) (10.60 mg TE/g) displayed the highest activities, respectively. Oleanolic acid (14) (51.45 mg TE/g) and 3-O-β-D-xylopyranoside-(23R,24S)-16β,23;16α,24-diepoxycycloart-25(26)-en-3β,7β-diol 7-monoacetate (4) (13.25 mg TE/g) revealed the highest reducing power in cupric ion-reducing activity (CUPRAC) and ferric-reducing antioxidant power (FRAP) assays, respectively. In metal-chelating activity on ferrous ions, compound 2 displayed the highest activity estimated by 41.00 mg EDTAE/g (EDTA equiva-lents/g). The tested triterpenes showed promising AChE and BChE inhibitory potential with 3-O-β-D-xylopyranoside-(23R,24S)-16β,23;16α,24-diepoxycycloart-25(26)-en-3β,7β-diol 2′,3′,4′,7-tetraacetate (3), exhibiting the highest inhibitory activity as estimated from 5.64 and 5.19 mg GALAE/g (galan-tamine equivalent/g), respectively. Compound 2 displayed the most potent tyrosinase inhibitory activity (113.24 mg KAE/g (mg kojic acid equivalent/g)). Regarding α-amylase and α-glucosidase inhibition, 3-O-β-D-xylopyranoside-(23R,24S)-16β,23;16α,24-diepoxycycloart-25(26)-en-3β,7β-diol (5) (0.55 mmol ACAE/g) and compound 3 (25.18 mmol ACAE/g) exerted the highest activities, respectively. In silico studies focused on compounds 2, 6, and 7 as inhibitors of tyrosinase revealed that compound 2 displayed a good ranking score (−7.069 kcal/mole) and also that the ∆G free-binding energy was the highest among the three selected compounds. From the ADMET/TOPKAT prediction, it can be concluded that compounds 4 and 5 displayed the best pharmacokinetic and pharmacodynamic behavior, with ... |
| نوع الوثيقة: | article in journal/newspaper |
| اللغة: | English |
| العلاقة: | info:eu-repo/semantics/altIdentifier/pmid/34770739; info:eu-repo/semantics/altIdentifier/wos/WOS:000718656500001; volume:26; issue:21; firstpage:6331; journal:MOLECULES; https://hdl.handle.net/11564/803386Test; info:eu-repo/semantics/altIdentifier/scopus/2-s2.0-85117941861; https://www.mdpi.com/1420-3049/26/21/6331Test |
| DOI: | 10.3390/molecules26216331 |
| الإتاحة: | https://doi.org/10.3390/molecules26216331Test https://hdl.handle.net/11564/803386Test https://www.mdpi.com/1420-3049/26/21/6331Test |
| حقوق: | info:eu-repo/semantics/openAccess |
| رقم الانضمام: | edsbas.865ED8B8 |
| قاعدة البيانات: | BASE |
| DOI: | 10.3390/molecules26216331 |
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