دورية أكاديمية
In Silico and In Vitro Study of Antioxidant Potential of Urolithins
| العنوان: | In Silico and In Vitro Study of Antioxidant Potential of Urolithins |
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| المؤلفون: | Emanuela Marchese, Valentina Orlandi, Federica Turrini, Isabella Romeo, Raffaella Boggia, Stefano Alcaro, Giosuè Costa |
| المساهمون: | Marchese, Emanuela, Orlandi, Valentina, Turrini, Federica, Romeo, Isabella, Boggia, Raffaella, Alcaro, Stefano, Costa, Giosuè |
| بيانات النشر: | MDPI CHE BASEL |
| سنة النشر: | 2023 |
| المجموعة: | Università degli Studi di Genova: CINECA IRIS |
| مصطلحات موضوعية: | antioxidant mechanism, urolithins, DFT, kinetic constants, DPPH, FRAP, radical scavenging |
| الوصف: | In this work, quantum chemical calculations based on density functional theory (DFT) were performed to predict the antioxidant potential of four bioactive gut microbiota metabolites of the natural polyphenols ellagitannins (ETs) and ellagic acid (EA), also known as urolithins (UROs). In order to evaluate their ability to counter the effect of oxidative stress caused by reactive oxygen species (ROS), such as the hydroperoxyl radical (•OOH), different reaction mechanisms were investigated, considering water and lipid-like environments. Through our in silico results, it emerged that at physiological pH, the scavenging activity of all urolithins, except urolithin B, are higher than that of trolox and other potent antioxidants existing in nature, such as EA, α-mangostin, allicin, caffeine and melatonin. These findings were confirmed by experimental assays. |
| نوع الوثيقة: | article in journal/newspaper |
| وصف الملف: | STAMPA |
| اللغة: | English |
| العلاقة: | info:eu-repo/semantics/altIdentifier/wos/WOS:000952951200001; volume:12; firstpage:697; lastpage:710; numberofpages:14; journal:ANTIOXIDANTS; https://hdl.handle.net/11567/1109962Test; info:eu-repo/semantics/altIdentifier/scopus/2-s2.0-85151345543 |
| DOI: | 10.3390/antiox12030697 |
| الإتاحة: | https://doi.org/10.3390/antiox12030697Test https://hdl.handle.net/11567/1109962Test |
| حقوق: | info:eu-repo/semantics/openAccess |
| رقم الانضمام: | edsbas.F5B9198B |
| قاعدة البيانات: | BASE |
| DOI: | 10.3390/antiox12030697 |
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