Phytochemical Analysis最新文献

{"title":"Chemical Recognition and Spectrum-Effect Relationship of UPLC-MS Chromatograms With Anti-Complementary and Antioxidant Activities of Myricariae Ramulus.","authors":"Mengyao Zhang, Deji, Daofeng Chen, Yan Lu","doi":"10.1002/pca.3527","DOIUrl":"10.1002/pca.3527","url":null,"abstract":"<p><strong>Introduction: </strong>Myricariae Ramulus (MR) is a traditional anti-inflammatory Tibetan medicine derived from the branches and leafy twigs of various Myricaria plants, such as Myricaria wardii Marquand.</p><p><strong>Objective: </strong>This study performed spectrum-effect analyses on 15 batches of MR, sourced from various origins and medicinal parts, to identify quality markers associated with its anti-inflammatory effects.</p><p><strong>Materials and methods: </strong>The anti-inflammatory effects of different extracts and fractions from M. wardii were evaluated in lipopolysaccharide-infected mice. Further analysis was conducted utilizing UPLC-Q-TOF-MS/MS in the negative ion mode to recognize the compound composition of ethyl acetate (EA) fractions from the branches and leafy twigs of M. wardii. Subsequently, anti-complementary and antioxidant activities were conducted via the hemolysis and ABTS radical scavenging methods, and UPLC chromatograms for 15 batches of samples were established. Finally, spectrum-effect analysis was performed by gray relational analysis and partial least squares regression to identify the quality markers.</p><p><strong>Results: </strong>The EA fraction effectively alleviated inflammatory responses by regulating IL-6 and myeloperoxidase. A total of 46 compounds from M. wardii were recognized, which mainly encompass gallic derivatives, phenolic amides, flavonoids, and terpenoids. Activity assays demonstrated that the two activities of leafy twigs were significantly stronger than those of branches. Moreover, an obvious distinction in chemical composition between the two parts was observed. Combining the spectrum-effect analysis results, methyl 3,4-dihydroxy-5-methoxybenzoate, myricarin A, protocatechualdehyde, and N-feruloyl normetanephrine from the branches, and protocatechuic acid from the leafy twigs were considered quality markers.</p><p><strong>Conclusion: </strong>These results provide insights into improving the quality control of MR.</p>","PeriodicalId":20095,"journal":{"name":"Phytochemical Analysis","volume":" ","pages":"1502-1516"},"PeriodicalIF":3.0,"publicationDate":"2025-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143606165","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"生物学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Identification of Antibacterial Agents with a Synergistic Effect in Pteris vittata L. by Exploration of Metabolome Data and Multivariate Analysis.","authors":"Kieu-Oanh Nguyen Thi, Ngoc-Lien Nguyen, Khanh-Phuong Dang, Phuong-Nhung Nguyen, Huyen-Thu Nguyen Thi, Hoang-Nam Pham, Sylvie Nazaret, Marie-Geneviève Dijoux-Franca","doi":"10.1002/pca.3530","DOIUrl":"10.1002/pca.3530","url":null,"abstract":"<p><strong>Introduction: </strong>In metalliferous ecosystems, bacteria could develop membrane efflux pumps to extrude heavy metals. Native plants, frequently exposed to such bacteria, may serve as rich chemical reservoirs for discovering potential antibacterial and/or resistance-modifying agents.</p><p><strong>Objectives: </strong>This study aims to investigate the antibacterial properties of Pteris vittata L., a metal hyperaccumulator abundant in metal-rich environments, against Stenotrophomonas maltophilia K279a, an opportunistic nosocomial pathogen linked to severe respiratory tract infections.</p><p><strong>Material and methods: </strong>A novel approach was used, employing the metabolome of P. vittata in a partial least squares regression model to predict the correlation between the whole chemical profile and activity. Marked compounds were then subjected to in vitro test for bactericidal and synergistic properties using broth dilution and time-kill assays.</p><p><strong>Results: </strong>The multivariate analysis demonstrated a strong synergistic effect among a range of flavonoids compared to the individual responses. Notably, nine flavonoids were confirmed to reduce the minimum inhibitory concentration and minimal bactericidal concentration values of active compounds, cyanidin-3,5-O-diglucoside and perlagonin, from 64.0 and 108 μg/mL to 0.25 and 3.38 μg/mL, respectively.</p><p><strong>Conclusion: </strong>These results provide insights into the possibility of combating clinical infections caused by S. maltophilia and highlight the potential of exploring new synergetic interactions among natural products as an alternative to the conventional bio-guided isolation strategy.</p>","PeriodicalId":20095,"journal":{"name":"Phytochemical Analysis","volume":" ","pages":"1560-1569"},"PeriodicalIF":3.0,"publicationDate":"2025-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143649902","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"生物学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Quality Grading Evaluation of Changii Radix Based on a Biology-Related Chemical Indicator Prediction Model.","authors":"Ke Liu, Chun-Lu Liu, Long Wang, Ping Li, Yan Jiang, Hui-Jun Li","doi":"10.1002/pca.3524","DOIUrl":"10.1002/pca.3524","url":null,"abstract":"<p><strong>Introduction: </strong>The quality of traditional Chinese medicine (TCM) is a prerequisite for clinical efficacy. However, the existing quality evaluation methods are not strongly correlated with efficacy, and they are unable to adequately reflect the quality grade of Changii Radix (CR).</p><p><strong>Objectives: </strong>In this study, a biology-related chemical indicator quality grading prediction model was developed to predict the quality grade of CR.</p><p><strong>Materials and methods: </strong>Firstly, the quality grade of CR was pre-classified based on immunological activity. Subsequently, one-way analysis of variance, gray correlation analysis, and Pearson correlation analysis were employed to identify the chemical indicators associated with immunological activity. Finally, separately using chemical indicators as independent variables and quality grades as dependent variables, the logistic regression model and a multi-index weighted quality comprehensive evaluation index (QCEI) were constructed to predict the quality grade of CR.</p><p><strong>Results: </strong>The results indicated that 27 batches of CR samples could be divided into three grades of I, II, and III. The gray correlation degrees and Pearson correlation coefficients between water-soluble extractives, polysaccharide, amino acid, and immunological activity all exceeded 0.8 and 0.4 (p < 0.05), respectively. Additionally, both the logistic regression model and QCEI could effectively predict the quality grade of CR, with the logistic regression model showing superior performance.</p><p><strong>Conclusion: </strong>This study is the first to establish a chemistry-biology integrated strategy for evaluating the quality grade of CR, providing a novel insight into the assessment of TCM quality grade.</p>","PeriodicalId":20095,"journal":{"name":"Phytochemical Analysis","volume":" ","pages":"1490-1501"},"PeriodicalIF":3.0,"publicationDate":"2025-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143542782","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"生物学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Targeted Isolation of Coumarins From Sideritis Species Based on Antiviral Screening and Untargeted Metabolomics.","authors":"Ekaterina-Michaela Tomou, Olivier Engler, Antonios Chrysargyris, Nikolaos Tzortzakis, Helen Skaltsa, Corinna Urmann","doi":"10.1002/pca.3531","DOIUrl":"10.1002/pca.3531","url":null,"abstract":"<p><strong>Introduction: </strong>The SARS-CoV-2 pandemic has revealed a deficiency in antiviral agents. Plants, traditionally used for respiratory infections, are valuable sources of antiviral compounds. Such a plant is the Sideritis L. taxa (mountain tea), traditionally used against cold and cough.</p><p><strong>Objectives: </strong>Accordingly, this study aimed to investigate the potential protective effects of dichloromethane extracts from Sideritis species against SARS-CoV-2.</p><p><strong>Materials and methods: </strong>Eight Sideritis extracts were tested in an in vitro pretreatment assay to assess the protective effect against SARS-CoV-2. Therefore, infectious virus particles were pre-incubated with the extract, then incubated with Vero E6 cells to finally measure cell viability as a surrogate for virus infection. Untargeted analyses (GC-MS and LC-PDA-HRESIMS) were performed to determine metabolite profiles.</p><p><strong>Results: </strong>Using an orthogonal approach that combines untargeted metabolomics and biological data from a screening assay, we characterized the phytochemical profiles of the different extracts and prioritized samples for targeted isolation. The dichloromethane extract of Sideritis cypria exhibited a notable protective effect. Untargeted analysis revealed coumarins as key compounds, with varying amounts across Sideritis species. Accordingly, fractionation of extract resulted in the isolation of two coumarin derivatives. Structure elucidation was performed using one- and two-dimensional nuclear magnetic resonance experiments. The coumarin, more abundant in S. cypria, demonstrated a slight protective effect in the SARS-CoV-2 pretreatment assay.</p><p><strong>Conclusion: </strong>This study highlights the antiviral effects of Sideritis taxa, although further investigations are necessary to clarify the full potential of the herb. Additionally, the methodology presented herein can serve as a valuable resource for future phytochemical investigations focused on coumarin content within Sideritis genus.</p>","PeriodicalId":20095,"journal":{"name":"Phytochemical Analysis","volume":" ","pages":"1570-1579"},"PeriodicalIF":3.0,"publicationDate":"2025-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143788764","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"生物学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Optimization of Extraction Process, Structural Characterization, and Antioxidant and Hypoglycemic Activity Evaluation of Polysaccharides From the Medicinal and Edible Plant: Cistanche deserticola Ma.","authors":"Tao-Tao Xue, Dong-Xuan Zheng, Qiang Hou, Li-Mei Wen, Bao-Juan Wang, Ruo-Yu Geng, Qian-Qian Wang, Wu Dai, Li-Ying Tian, Sheng-Qi He, Jian-Hua Yang, Jun-Ping Hu","doi":"10.1002/pca.3512","DOIUrl":"10.1002/pca.3512","url":null,"abstract":"<p><strong>Introduction: </strong>Cistanche deserticola Ma (CD), an edible and medicinal plant native to Xinjiang, Inner Mongolia, and Gansu in China, is rich in bioactive polysaccharides known for their health-promoting properties. The polysaccharides of C. deserticola (CDPs) have been shown to possess a range of beneficial activities, including immunomodulatory, anti-aging, antioxidant, and anti-osteoporosis effects.</p><p><strong>Objective: </strong>This study seeks to identify the optimal conditions for extracting CDPs using hot water. Additionally, it aims to evaluate their chemical properties, antioxidant activity, hypoglycemic effects, and cytotoxicity. The findings will provide a theoretical foundation for the potential use of CDPs in functional foods and pharmaceuticals.</p><p><strong>Methodology: </strong>The study employed response surface methodology to optimize the hot water extraction conditions for CDPs. The extracted CDPs were characterized using a range of chemical, spectroscopic, and instrumental analyses. Furthermore, their antioxidant activity, hypoglycemic effects, and cytotoxicity were evaluated through relevant assays to assess their potential health benefits.</p><p><strong>Results: </strong>Under optimal conditions, the yield of CDPs was 45.85% ± 1.91%. CDPs were identified as acidic heteropolysaccharides with a wide molecular weight distribution, ranging from 0.3 to 128.2 kDa. They were composed primarily of glucose (51.21%), arabinose (32.86%), galactose (17.88%), and smaller amounts of galacturonic acid (4.66%), rhamnose (1.85%), mannose (1.32%), glucosamine hydrochloride (1.08%), and xylose (0.56%). Antioxidant assays demonstrated that CDPs exhibited significant free radical scavenging activity, metal ion chelation, and reducing power. Additionally, CDPs inhibited α-glucosidase and α-amylase in vitro through a mixed-type mechanism, as well as static fluorescence quenching. Cytotoxicity assays showed that CDPs were nontoxic to L02 and AML12 cells.</p><p><strong>Conclusion: </strong>This study offers a theoretical foundation for the potential use of CDPs in functional foods and pharmaceuticals and provides valuable insights for the development of new antioxidant and hypoglycemic agents from natural sources.</p>","PeriodicalId":20095,"journal":{"name":"Phytochemical Analysis","volume":" ","pages":"1333-1350"},"PeriodicalIF":3.0,"publicationDate":"2025-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143033404","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"生物学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Characterization and Identification of the Chemical Constituents and the Metabolites of Geum japonicum Thunb. var. chinense F. Bolle.","authors":"Yang Yang, Tong Wu, Leilei Jiang, Lixia Wang, Xiaoxu Chen, Tianxin Zhang, Zhuju Wang, Ye Zhao, KaiYang Liu, Hongwei Wu, Liying Tang","doi":"10.1002/pca.3528","DOIUrl":"10.1002/pca.3528","url":null,"abstract":"<p><strong>Introduction: </strong>Geum japonicum Thunb. var. chinense F. Bolle (GJ) holds significance as a traditional Miao medicine, one of China's ethnic minorities, extensively utilized in the clinical management of cardiovascular ailments. However, little attention has been directed toward the chemical constituents of GJ, as well as the metabolic and distribution of its chemical constituents in vivo.</p><p><strong>Objective: </strong>The objective of this study is to qualitatively analyze the chemical constituents of GJ, as well as their prototype components and metabolites in vivo.</p><p><strong>Methods: </strong>We established a reliable method using ultra-high-performance liquid chromatography coupled with quadrupole Exactive Orbitrap mass spectrometry (UHPLC-Q-Exactive Orbitrap-MS) to conduct a comprehensive analysis of GJ as well as systematically to screen the prototype and metabolite constituents in rat plasma, urine, feces, brain, heart, liver, spleen, and kidney after gastric perfusion.</p><p><strong>Results: </strong>A total of 94 compounds were identified or tentatively characterized in GJ. Moreover, a total of 75 in vivo components were identified from the plasma, urine, feces, brain, heart, liver, spleen, and kidney of rats gavaged with 500 mg/kg of GJ extract, including 19 prototype components and 56 metabolites. The metabolic pathways, including Phase I reactions and Phase II reactions, for the absorbed constituents, were explored and summarized. Moreover, the metabolic pathways of GJ were proposed, which shed light on their mechanism.</p><p><strong>Conclusion: </strong>This is the first systematic study on the components of GJ and their metabolites in vivo and in vitro. The metabolite distribution and metabolic pathways of GJ in vivo were further proposed.</p>","PeriodicalId":20095,"journal":{"name":"Phytochemical Analysis","volume":" ","pages":"1517-1538"},"PeriodicalIF":3.0,"publicationDate":"2025-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143625629","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"生物学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Increment of Ginsenoside Accumulation in Ginseng Rhizome Joints and the Prediction of the Growth Year.","authors":"Faquan Wang, Shengyuan Xiao","doi":"10.1002/pca.3533","DOIUrl":"10.1002/pca.3533","url":null,"abstract":"<p><strong>Introduction: </strong>The growth year of ginseng is relevant to its quality and commercial value. Ginseng rhizome joint number increases by growth year. The relationship between the metabolite accumulation and the growth year of a rhizome remains unclear. Most forest-grown ginseng rhizomes can conveniently be separated into different joints and are suitable materials for investigating ginseng metabolite accumulation.</p><p><strong>Objectives: </strong>This work aims to elucidate how ginsenoside accumulates in the ginseng rhizome joint and if it is applicable for growth-year determination.</p><p><strong>Methods: </strong>Forest-grown Panax ginseng rhizomes were separated into different joints according to their growth scars; ginsenosides in each joint were then tested using high-performance liquid chromatography-tandem mass spectrometry. The age-related ginsenosides screening was performed using orthogonal partial least squares analysis (OPLS). Several ground-cultivated ginseng rhizomes have also been tested.</p><p><strong>Results: </strong>Ginsenoside contents in different joints of a rhizome increase with its growth year and reach their corresponding equilibriums in specific years. Notoginsenoside R3 and ginsenoside Rg1 were the most relevant to the growth year. They increase continuously from 0 to 8 years. Perhaps, the OPLS improved the linearity of the relationship between scores and ages. The predictions of the growth year of a rhizome joint using the OPLS models were accurate.</p><p><strong>Conclusion: </strong>Some ginsenosides increased in ginseng rhizome joints by their growth year. The OPLS score of a rhizome joint can be used to determine its growth year.</p>","PeriodicalId":20095,"journal":{"name":"Phytochemical Analysis","volume":" ","pages":"1596-1604"},"PeriodicalIF":3.0,"publicationDate":"2025-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143788761","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"生物学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Recent Advances on the Chemical Composition, Pharmacological Properties, and Product Development of Morus alba.","authors":"Zixuan Yan, Shamukaer Alimujiang, Yao Zhang, Jianqiang Zhao, Yunfei Hu, Wenlong Li","doi":"10.1002/pca.3544","DOIUrl":"10.1002/pca.3544","url":null,"abstract":"<p><strong>Introduction: </strong>Morus alba, a member of the Moraceae family, has a long history of medicinal use in China. Its branches, fruits, leaves, and root bark are rich in various bioactive compounds, including flavonoids, alkaloids, and other phytochemicals. These plant parts exhibit a broad spectrum of pharmacological activities, such as antidiabetic, antitumor, antibacterial, and antioxidant effects. Owing to these properties, various parts of M. alba have been developed into functional foods and health products, attracting considerable public and scientific interest.</p><p><strong>Objectives: </strong>This review aims to summarize current knowledge on the phytochemistry, pharmacological activities, and product development related to different parts of M. alba, with particular emphasis on their respective roles in the development of functional products.</p><p><strong>Methods: </strong>Relevant literature was retrieved from major scientific databases, including PubMed, Web of Science, ScienceDirect, and Google Scholar. Information related to the phytochemistry, pharmacological effects, and product development of various parts of M. alba was systematically collected and analyzed.</p><p><strong>Results: </strong>This review summarizes the chemical composition of different parts of M. alba and their corresponding pharmacological properties. It also highlights recent advancements in the development of functional products derived from M. alba.</p><p><strong>Conclusions: </strong>M.orus alba contains a wide array of bioactive compounds with promising pharmacological potential. Its various parts have demonstrated potential in the prevention and management of chronic diseases and have been increasingly utilized in the development of functional health products. Further interdisciplinary studies are warranted to facilitate its translational application in modern healthcare.</p>","PeriodicalId":20095,"journal":{"name":"Phytochemical Analysis","volume":" ","pages":"1301-1332"},"PeriodicalIF":3.0,"publicationDate":"2025-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144192066","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"生物学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Harnessing Molecular and Bioactivity Network Analysis to Prioritize Antibacterial Compound Isolation From Ant-Associated Fungi.","authors":"Ángel S Aguilar-Colorado, Jesús Morales-Jiménez, José Rivera-Chávez","doi":"10.1002/pca.3513","DOIUrl":"10.1002/pca.3513","url":null,"abstract":"<p><strong>Introduction: </strong>Antimicrobial resistance is a global public health problem that requires the development of new bioactive compounds. In this context, metabolomic analyses can expedite the research of fungal metabolites as a valuable resource.</p><p><strong>Objectives: </strong>To investigate the metabolic profiles and isolate antibacterial compounds from micromycetes associated with Mexican cloud forest ants by utilizing network analysis of their chemical and bioactivity data.</p><p><strong>Material and methods: </strong>248 fungal strains isolated from six ant's species, soil of their anthills, and soil of the surroundings were evaluated for their in vitro inhibition growth of extensively drug-resistant Acinetobacter baumannii and hypervirulent Klebsiella pneumoniae; subsequently, their metabolites were dereplicated and analyzed by molecular networking and compound activity mapping from spectrometric data. Prioritization of some fungi for isolation of their major constituents was performed, and their structures were established by spectroscopic and spectrometric analysis and their bioactivity determined.</p><p><strong>Results: </strong>From the fungal collection, 15 secondary metabolites (1-15) were dereplicated, and 10 compounds (16-25), including the new (E)-tridec-7-ene-3,5,6,10-tetraol (25), were isolated from Ascomycetes of Trichoderma, Cladosporium, and Clonostachys genera. Compounds 16-18 stood out for being bioactive. This study is the first report of antibacterial activity against A. baumannii for the tricyclic pyridin-2-ones deoxy-PF1140 (16) and PF1140 (17), with minimum inhibitory concentration of 50 μg/mL.</p><p><strong>Conclusion: </strong>Network analysis and dereplication proved effective in bioprospecting for antibacterial compounds, offering valuable insights into the chemical diversity of cloud forest soil fungi and their potential applications. Moreover, this study broadens the knowledge of fungal secondary metabolites linked to leafcutter, fire, and warrior ants.</p>","PeriodicalId":20095,"journal":{"name":"Phytochemical Analysis","volume":" ","pages":"1351-1366"},"PeriodicalIF":3.0,"publicationDate":"2025-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143067303","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"生物学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Comprehensive Metabolomic and Bioactivity Profiling of Zingiberaceae Species From Manipur: Elucidating Antidiabetic and Antioxidant Mechanisms Through In Vitro and In Silico Approaches.","authors":"Khaidem Kennedy Singh, Huidrom Abesana Mangang, Oinam Kelo Singh, Ojit Singh Keithellakpam, Pardeep Kumar Bhardwaj, Pulok K Mukherjee, Nanaocha Sharma","doi":"10.1002/pca.3517","DOIUrl":"10.1002/pca.3517","url":null,"abstract":"<p><strong>Introduction: </strong>The Zingiberaceae family is well known for its therapeutic characteristics, notably its antidiabetic and antioxidant potential, which may be linked to its diverse bioactive metabolite composition. Despite widespread usage in traditional medicine, there has been little research on the chemical composition and biological activity of Zingiberaceae plants from Manipur, India.</p><p><strong>Objective: </strong>This study aims to comprehensively profile metabolites and evaluate the antidiabetic and antioxidant properties of seven Zingiberaceae species through in vitro assays and in silico molecular docking analysis.</p><p><strong>Methods: </strong>Hydroalcoholic extracts of Curcuma caesia, Kaempferia parviflora, Curcuma zedoaria, Zingiber officinale, Curcuma angustifolia, Curcuma aromatica, and Curcuma longa were examined. TPC and TFC were measured using Folin-Ciocalteu and Aluminum chloride colorimetry. Antidiabetic efficacy was assessed by α-glucosidase and α-amylase inhibition tests. DPPH and ABTS tests measured antioxidant activity. GC-MS was used for metabolite profiling, and molecular docking was used to explore bioactive compound-antidiabetic protein interactions (3L4Y, 5UBA, NOX1).</p><p><strong>Results: </strong>C. caesia showed the highest TPC (85.41 GAE mg/g) and TFC (126.15 QE mg/g). Z. officinale, C. angustifolia, and K. parviflora exhibited significant α-glucosidase (74%-80%) and α-amylase (62%-73%) inhibition, surpassing acarbose. Strong antioxidant activity was observed, especially in C. caesia and Z. officinale. GC-MS identified 61 bioactive compounds, with molecular docking showing strong interactions of gingerol and zederone with 3L4Y and 5UBA, and germacrone and β-sesquiphellandrene with NOX1.</p><p><strong>Conclusions: </strong>Seven Zingiberaceae species from Manipur exhibit notable antidiabetic and antioxidant potential, with C. caesia and Z. officinale showing superior efficacy. Key bioactives like gingerol, zederone, germacrone, and β-sesquiphellandrene demonstrated strong therapeutic target interactions, supporting their pharmacological potential.</p>","PeriodicalId":20095,"journal":{"name":"Phytochemical Analysis","volume":" ","pages":"1396-1415"},"PeriodicalIF":3.0,"publicationDate":"2025-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143492775","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"生物学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}