Assessment of anti-diabetic properties of Ziziphus oenopolia (L.) wild edible fruit extract: In vitro and in silico investigations through molecular docking analysis
{"title":"Assessment of anti-diabetic properties of Ziziphus oenopolia (L.) wild edible fruit extract: In vitro and in silico investigations through molecular docking analysis","authors":"R. Shunmuga Vadivu, Senthil Bakthavatchalam, Vasthi Gnana Rani, Abdurahman Hajinur Hirad, Zhi-Hong Wen, Chien-Han Yuan, Ramachandran Vinayagam","doi":"10.1515/chem-2024-0032","DOIUrl":null,"url":null,"abstract":"Globally, healthcare is concerned about the rising prevalence of type 2 diabetes. Phytochemicals from medicinal plants have shown great promise in improving human health. The present study aimed to determine the secondary metabolites of <jats:italic>Ziziphus oenopolia</jats:italic> (L.) fruit extract that contribute to its anti-diabetic activity. The anti-diabetic properties were assessed by <jats:italic>in vitro</jats:italic> and <jats:italic>in silico</jats:italic> approaches using α-amylase and α-glucosidase inhibitory assays. Gas chromatography and mass spectroscopy analyses were used to profile <jats:italic>Z. oenopolia</jats:italic> fruit contents, and a total of four bioactive chemicals and eight phytocompounds were tentatively identified, including flavonoids, terpenoids, phenols, steroids, tannins, and saponins. The <jats:italic>Z. oenopolia</jats:italic> fruit hydroalcoholic extract inhibits α-amylase and α-glucosidase enzymes in a dose-dependent manner (IC<jats:sub>50</jats:sub> = 328.76 and 337.28 µg/mL, <jats:italic>R</jats:italic> <jats:sup>2</jats:sup> = 0.979 and 0.981). Additionally, phytochemicals found in <jats:italic>Z. oenopolia</jats:italic> fruit exhibit the ability to inhibit anti-diabetic targets, specifically α-amylase and α-glucosidase (2QV4 vs 3A4A; correlation coefficient, <jats:italic>r</jats:italic> = 0.955), as demonstrated by computational analysis. This establishes the fruit as a promising and environmentally friendly option for treating hyperglycemia, highlighting the positive correlation between anti-diabetic objectives.","PeriodicalId":19520,"journal":{"name":"Open Chemistry","volume":"49 1","pages":""},"PeriodicalIF":2.1000,"publicationDate":"2024-05-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Open Chemistry","FirstCategoryId":"92","ListUrlMain":"https://doi.org/10.1515/chem-2024-0032","RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q3","JCRName":"CHEMISTRY, MULTIDISCIPLINARY","Score":null,"Total":0}
引用次数: 0
Abstract
Globally, healthcare is concerned about the rising prevalence of type 2 diabetes. Phytochemicals from medicinal plants have shown great promise in improving human health. The present study aimed to determine the secondary metabolites of Ziziphus oenopolia (L.) fruit extract that contribute to its anti-diabetic activity. The anti-diabetic properties were assessed by in vitro and in silico approaches using α-amylase and α-glucosidase inhibitory assays. Gas chromatography and mass spectroscopy analyses were used to profile Z. oenopolia fruit contents, and a total of four bioactive chemicals and eight phytocompounds were tentatively identified, including flavonoids, terpenoids, phenols, steroids, tannins, and saponins. The Z. oenopolia fruit hydroalcoholic extract inhibits α-amylase and α-glucosidase enzymes in a dose-dependent manner (IC50 = 328.76 and 337.28 µg/mL, R2 = 0.979 and 0.981). Additionally, phytochemicals found in Z. oenopolia fruit exhibit the ability to inhibit anti-diabetic targets, specifically α-amylase and α-glucosidase (2QV4 vs 3A4A; correlation coefficient, r = 0.955), as demonstrated by computational analysis. This establishes the fruit as a promising and environmentally friendly option for treating hyperglycemia, highlighting the positive correlation between anti-diabetic objectives.
期刊介绍:
Open Chemistry is a peer-reviewed, open access journal that publishes original research, reviews and short communications in the fields of chemistry in an ongoing way. The central goal is to provide a hub for researchers working across all subjects to present their discoveries, and to be a forum for the discussion of the important issues in the field. The journal is the premier source for cutting edge research in fundamental chemistry and it provides high quality peer review services for its authors across the world. Moreover, it allows for libraries everywhere to avoid subscribing to multiple local publications, and to receive instead all the necessary chemistry research from a single source available to the entire scientific community.