Integration of metabolomics and bioinformatics: exploring medicinal potential value of Duchesnea indica and its endophytic fungus Aspergillus sp. through UPLC-Orbitrap HRMS based metabolomics.
{"title":"Integration of metabolomics and bioinformatics: exploring medicinal potential value of <i>Duchesnea indica</i> and its endophytic fungus <i>Aspergillus</i> sp. through UPLC-Orbitrap HRMS based metabolomics.","authors":"Guiwen Li, Hui Zhang, Shuifeng Zhang, Xiangjie Pan, Gongnian Xiao, Shengli Yang","doi":"10.1080/14786419.2025.2487692","DOIUrl":null,"url":null,"abstract":"<p><p><i>Duchesnea indica</i> is a traditional medicinal plant known for its antioxidant, anticancer and antibacterial properties. This study is the first to investigate endophytic fungi in <i>D. indica</i>, isolating PS4 (<i>Aspergillus</i> sp.) and employing the innovative OSMAC strategy to enhance its metabolomic profile, analysing the metabolites of both <i>D. indica</i> and its endophytic fungus for the first time using UPLC-Orbitrap HRMS. Specifically, in potato dextrose broth (PDB), PS4's metabolites showed remarkable potential for antioxidant, antibacterial and anticancer effects. The potential targets for the anticancer effects of <i>D. indica</i> and its endophytic fungus were innovatively predicted using network pharmacology and molecular docking, identifying 17 key compounds and six core target genes for the first time in this context. Strong binding between these components and target genes underscores the value of integrating metabolomics and network pharmacology in natural product research, laying a foundation for future drug development.</p>","PeriodicalId":18990,"journal":{"name":"Natural Product Research","volume":" ","pages":"1-10"},"PeriodicalIF":1.6000,"publicationDate":"2025-04-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Natural Product Research","FirstCategoryId":"92","ListUrlMain":"https://doi.org/10.1080/14786419.2025.2487692","RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q3","JCRName":"CHEMISTRY, APPLIED","Score":null,"Total":0}
引用次数: 0
Abstract
Duchesnea indica is a traditional medicinal plant known for its antioxidant, anticancer and antibacterial properties. This study is the first to investigate endophytic fungi in D. indica, isolating PS4 (Aspergillus sp.) and employing the innovative OSMAC strategy to enhance its metabolomic profile, analysing the metabolites of both D. indica and its endophytic fungus for the first time using UPLC-Orbitrap HRMS. Specifically, in potato dextrose broth (PDB), PS4's metabolites showed remarkable potential for antioxidant, antibacterial and anticancer effects. The potential targets for the anticancer effects of D. indica and its endophytic fungus were innovatively predicted using network pharmacology and molecular docking, identifying 17 key compounds and six core target genes for the first time in this context. Strong binding between these components and target genes underscores the value of integrating metabolomics and network pharmacology in natural product research, laying a foundation for future drug development.
期刊介绍：
The aim of Natural Product Research is to publish important contributions in the field of natural product chemistry. The journal covers all aspects of research in the chemistry and biochemistry of naturally occurring compounds.
The communications include coverage of work on natural substances of land and sea and of plants, microbes and animals. Discussions of structure elucidation, synthesis and experimental biosynthesis of natural products as well as developments of methods in these areas are welcomed in the journal. Finally, research papers in fields on the chemistry-biology boundary, eg. fermentation chemistry, plant tissue culture investigations etc., are accepted into the journal.
Natural Product Research issues will be subtitled either ""Part A - Synthesis and Structure"" or ""Part B - Bioactive Natural Products"". for details on this , see the forthcoming articles section.
All manuscript submissions are subject to initial appraisal by the Editor, and, if found suitable for further consideration, to peer review by independent, anonymous expert referees. All peer review is single blind and submission is online via ScholarOne Manuscripts.
京公网安备 11010802042870号
京ICP备2023020795号-1
分享
求助内容：
应助结果提醒方式：
扫码关注我们
