{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,9,9]],"date-time":"2026-09-09T05:06:31Z","timestamp":1788930391545,"version":"build-2803163510"},"reference-count":46,"publisher":"MDPI AG","issue":"17","license":[{"start":{"date-parts":[[2026,9,7]],"date-time":"2026-09-07T00:00:00Z","timestamp":1788739200000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/creativecommons.org\/licenses\/by\/4.0\/"}],"funder":[{"name":"Guangzhou Science and Technology Program Project","award":["2025A03J3889"],"award-info":[{"award-number":["2025A03J3889"]}]}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["Foods"],"abstract":"<jats:p>The aerial parts of Nanhaia speciosa are often discarded despite their potential as a source of bioactive compounds. This study aimed to characterise this underutilised biomass and evaluate its functional properties relevant to carbohydrate digestion. Ultra-high-performance liquid chromatography\u2013quadrupole-Orbitrap high-resolution mass spectrometry (UHPLC-Q-Orbitrap HRMS), Global Natural Products Social (GNPS) molecular networking, and MS\/MS fragmentation analysis tentatively annotated 96 compounds, mainly flavonoids and nitrogen-containing constituents. The extract inhibited \u03b1-glucosidase and \u03b1-amylase in a concentration-dependent manner, with IC50 values of 9.98 \u00b1 0.02 and 174.83 \u00b1 1.31 \u03bcg\/mL, respectively, compared with 29.73 \u00b1 0.04 and 39.46 \u00b1 0.19 \u03bcg\/mL for acarbose. The extract also showed measurable chemical antioxidant capacity. Network pharmacology suggested potential involvement of cAMP-, calcium-, and receptor-associated signalling. Molecular docking prioritised butein as a candidate constituent with favourable predicted interactions with both enzymes, and molecular dynamics simulations supported stable predicted binding. The estimated MM\/GBSA binding free energies of butein were \u221236.68 and \u221232.03 kcal\/mol for \u03b1-glucosidase and \u03b1-amylase, respectively. These findings indicate that the aerial biomass of N. speciosa is a promising source of phytochemicals with potential carbohydrate-hydrolase inhibitory properties, although the activity of individual constituents requires further experimental validation.<\/jats:p>","DOI":"10.3390\/foods15173167","type":"journal-article","created":{"date-parts":[[2026,9,7]],"date-time":"2026-09-07T16:30:02Z","timestamp":1788798602000},"page":"3167","update-policy":"https:\/\/doi.org\/10.3390\/mdpi_crossmark_policy","source":"Crossref","is-referenced-by-count":0,"title":["Phytochemical Profiling and \u03b1-Glucosidase and \u03b1-Amylase Inhibitory Activities of Underutilised Nanhaia speciosa Aerial Biomass"],"prefix":"10.3390","volume":"15","author":[{"ORCID":"https:\/\/orcid.org\/0000-0003-2014-1559","authenticated-orcid":false,"given":"Wei","family":"Dai","sequence":"first","affiliation":[{"name":"Teaching and Experimental Center, Guangdong Pharmaceutical University, Guangzhou 510006, China"},{"name":"Comprehensive Experimental Teaching Center of Traditional Chinese Medicine, Yunfu Campus, Guangdong Pharmaceutical University, Yunfu 527500, China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Jing","family":"Yang","sequence":"additional","affiliation":[{"name":"School of Traditional Chinese Materia Medica, Guangdong Pharmaceutical University, Guangzhou 510006, China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Yiting","family":"Chen","sequence":"additional","affiliation":[{"name":"School of Traditional Chinese Materia Medica, Guangdong Pharmaceutical University, Guangzhou 510006, China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Liangqian","family":"Zhang","sequence":"additional","affiliation":[{"name":"Key Laboratory of Xinjiang Phytomedicine Resource and Utilization, Ministry of Education, School of Pharmacy, Shihezi University, Shihezi 832002, China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Yuxi","family":"Wu","sequence":"additional","affiliation":[{"name":"Key Laboratory of Xinjiang Phytomedicine Resource and Utilization, Ministry of Education, School of Pharmacy, Shihezi University, Shihezi 832002, China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Gantao","family":"Cheng","sequence":"additional","affiliation":[{"name":"Guangdong Xiaoyang Ecological Agriculture Co., Ltd., Yunfu 527500, China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Qi","family":"Wang","sequence":"additional","affiliation":[{"name":"Key Laboratory of Xinjiang Phytomedicine Resource and Utilization, Ministry of Education, School of Pharmacy, Shihezi University, Shihezi 832002, China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-7869-5736","authenticated-orcid":false,"given":"Xin","family":"He","sequence":"additional","affiliation":[{"name":"School of Traditional Chinese Materia Medica, Guangdong Pharmaceutical University, Guangzhou 510006, China"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"1968","published-online":{"date-parts":[[2026,9,7]]},"reference":[{"key":"ref_1","doi-asserted-by":"crossref","first-page":"149","DOI":"10.1016\/S2213-8587(25)00299-2","article-title":"11th edition of the IDF Diabetes Atlas: Global, regional, and national diabetes prevalence estimates for 2024 and projections for 2050","volume":"14","author":"Genitsaridi","year":"2026","journal-title":"Lancet Diabetes Endocrinol."},{"key":"ref_2","doi-asserted-by":"crossref","first-page":"782","DOI":"10.1016\/j.jmb.2007.10.069","article-title":"Human intestinal maltase-glucoamylase: Crystal structure of the N-terminal catalytic subunit and basis of inhibition and substrate specificity","volume":"375","author":"Sim","year":"2008","journal-title":"J. Mol. Biol."},{"key":"ref_3","doi-asserted-by":"crossref","first-page":"4","DOI":"10.1007\/s13659-023-00424-w","article-title":"Flavonoids as dual-target inhibitors against \u03b1-glucosidase and \u03b1-amylase: A systematic review of in vitro studies","volume":"14","author":"Lam","year":"2024","journal-title":"Nat. Prod. Bioprospect."},{"key":"ref_4","doi-asserted-by":"crossref","first-page":"2115","DOI":"10.2174\/0109298673272908231115101520","article-title":"Recent progress on natural \u03b1-glucosidase inhibitors derived from the plants and microorganisms","volume":"32","author":"Deng","year":"2025","journal-title":"Curr. Med. Chem."},{"key":"ref_5","doi-asserted-by":"crossref","first-page":"1058","DOI":"10.1161\/CIRCRESAHA.110.223545","article-title":"Oxidative stress and diabetic complications","volume":"107","author":"Giacco","year":"2010","journal-title":"Circ. Res."},{"key":"ref_6","doi-asserted-by":"crossref","first-page":"1","DOI":"10.3897\/phytokeys.125.34877","article-title":"The Callerya group redefined and tribe Wisterieae (Fabaceae) emended based on morphology and data from nuclear and chloroplast DNA sequences","volume":"125","author":"Compton","year":"2019","journal-title":"PhytoKeys"},{"key":"ref_7","doi-asserted-by":"crossref","first-page":"114360","DOI":"10.1016\/j.jep.2021.114360","article-title":"Ameliorating effect on glycolipid metabolism and chemical profile of Millettia speciosa Champ. extract","volume":"279","author":"Zhang","year":"2021","journal-title":"J. Ethnopharmacol."},{"key":"ref_8","doi-asserted-by":"crossref","unstructured":"Wang, W., Yan, Y., Li, Y., Huang, Y., Zhang, Y., Yang, L., Xu, X., Wu, F., Du, B., and Mao, Z. (2023). Nutritional value, volatile components, functional metabolites, and antibacterial and cytotoxic activities of different parts of Millettia speciosa Champ., a medicinal and edible plant with potential for development. Plants, 12.","DOI":"10.3390\/plants12223900"},{"key":"ref_9","doi-asserted-by":"crossref","first-page":"e70601","DOI":"10.1002\/fsn3.70601","article-title":"Analysis of the aerial parts of Millettia speciosa Champ. and mechanistic study of its active ingredient formononetin in improving metabolic syndrome","volume":"13","author":"Niu","year":"2025","journal-title":"Food Sci. Nutr."},{"key":"ref_10","doi-asserted-by":"crossref","first-page":"107644","DOI":"10.1016\/j.ultsonch.2025.107644","article-title":"Ultrasound-assisted green extraction and resin purification of hypaphorine from Nanhaia speciosa using deep eutectic solvents","volume":"122","author":"Dai","year":"2025","journal-title":"Ultrason. Sonochem."},{"key":"ref_11","doi-asserted-by":"crossref","first-page":"796","DOI":"10.47836\/ifrj.31.3.22","article-title":"Augmentation of \u03b1-amylase and \u03b1-glucosidase inhibitory properties of Callerya speciosa root extracts: An exploration through simulated human gastrointestinal digestion","volume":"31","author":"Quan","year":"2024","journal-title":"Int. Food Res. J."},{"key":"ref_12","doi-asserted-by":"crossref","first-page":"828","DOI":"10.1038\/nbt.3597","article-title":"Sharing and community curation of mass spectrometry data with Global Natural Products Social Molecular Networking","volume":"34","author":"Wang","year":"2016","journal-title":"Nat. Biotechnol."},{"key":"ref_13","doi-asserted-by":"crossref","first-page":"E1743","DOI":"10.1073\/pnas.1203689109","article-title":"Mass spectral molecular networking of living microbial colonies","volume":"109","author":"Watrous","year":"2012","journal-title":"Proc. Natl. Acad. Sci. USA"},{"key":"ref_14","doi-asserted-by":"crossref","first-page":"707","DOI":"10.1007\/s11130-024-01216-4","article-title":"Comprehensive screening and characterization of \u03b1-glucosidase inhibitory components in the edible medicinal plant Pholidota cantonensis Rolfe using UPLC-Q-TOF-MS\/MS analysis and molecular docking","volume":"79","author":"Tian","year":"2024","journal-title":"Plant Foods Hum. Nutr."},{"key":"ref_15","doi-asserted-by":"crossref","first-page":"105362","DOI":"10.1016\/j.jff.2022.105362","article-title":"Identification of \u03b1-glucosidase inhibitors from mulberry using UF-UPLC-QTOF-MS\/MS and molecular docking","volume":"101","author":"Abudurexiti","year":"2023","journal-title":"J. Funct. Foods"},{"key":"ref_16","doi-asserted-by":"crossref","unstructured":"Ndarawit, W., Ochieng, C.O., Angwenyi, D., Cruz, J.N., Santos, C.B.R., and Kimani, N.M. (2024). Discovery of \u03b1-amylase and \u03b1-glucosidase dual inhibitors from the NPASS database for management of type 2 diabetes mellitus: A chemoinformatic approach. PLoS ONE, 19.","DOI":"10.1371\/journal.pone.0313758"},{"key":"ref_17","doi-asserted-by":"crossref","first-page":"2492706","DOI":"10.1080\/14756366.2025.2492706","article-title":"Profiling and cheminformatics bioprospection of curcurbitacin I and momordin Ic from Momordica balsamina on \u03b1-amylase and \u03b1-glucosidase","volume":"40","author":"Jaichand","year":"2025","journal-title":"J. Enzym. Inhib. Med. Chem."},{"key":"ref_18","doi-asserted-by":"crossref","first-page":"2497486","DOI":"10.1080\/14756366.2025.2497486","article-title":"Liquidambaric acid as a non-competitive \u03b1-glucosidase inhibitor: Multi-level evidence from enzyme kinetics, molecular docking, molecular dynamics simulations, and a Drosophila hyperglycaemic model","volume":"40","author":"Jia","year":"2025","journal-title":"J. Enzym. Inhib. Med. Chem."},{"key":"ref_19","doi-asserted-by":"crossref","first-page":"2580515","DOI":"10.1080\/14756366.2025.2580515","article-title":"In vitro \u03b1-glucosidase inhibition, molecular dynamics and docking study of phenyl carbamoyl methoxy thiosemicarbazone derivatives as potential anti-diabetic agents","volume":"40","author":"Valadbeigi","year":"2025","journal-title":"J. Enzym. Inhib. Med. Chem."},{"key":"ref_20","doi-asserted-by":"crossref","first-page":"W357","DOI":"10.1093\/nar\/gkz382","article-title":"SwissTargetPrediction: Updated data and new features for efficient prediction of protein targets of small molecules","volume":"47","author":"Daina","year":"2019","journal-title":"Nucleic Acids Res."},{"key":"ref_21","doi-asserted-by":"crossref","first-page":"682","DOI":"10.1038\/nchembio.118","article-title":"Network pharmacology: The next paradigm in drug discovery","volume":"4","author":"Hopkins","year":"2008","journal-title":"Nat. Chem. Biol."},{"key":"ref_22","doi-asserted-by":"crossref","unstructured":"Pinzi, L., and Rastelli, G. (2019). Molecular docking: Shifting paradigms in drug discovery. Int. J. Mol. Sci., 20.","DOI":"10.3390\/ijms20184331"},{"key":"ref_23","first-page":"101956","article-title":"Phytochemical profiling and in vitro bioactivity of Pyrus calleryana extracts via UPLC-MS\/MS and GNPS molecular networking","volume":"21","author":"Elbanna","year":"2025","journal-title":"J. Agric. Food Res."},{"key":"ref_24","doi-asserted-by":"crossref","first-page":"189","DOI":"10.1248\/cpb.c24-00462","article-title":"Guided isolation of isopentenyl flavonoids from Daphne giraldii based on the combination of GNPS and SMART","volume":"73","author":"Zhao","year":"2025","journal-title":"Chem. Pharm. Bull."},{"key":"ref_25","doi-asserted-by":"crossref","first-page":"153086","DOI":"10.1016\/j.ijbiomac.2026.153086","article-title":"Structural characterization and the protective effects of green walnut husk polysaccharides by modulating inflammation and gut microbiota for inflammatory bowel disease","volume":"372","author":"Li","year":"2026","journal-title":"Int. J. Biol. Macromol."},{"key":"ref_26","doi-asserted-by":"crossref","first-page":"158431","DOI":"10.1016\/j.phymed.2026.158431","article-title":"Huaganjian decoction attenuates liver fibrosis via purine metabolic-inflammatory synergistic crosstalk: Network pharmacology combined with multi-omics analyses","volume":"159","author":"Zhang","year":"2026","journal-title":"Phytomedicine"},{"key":"ref_27","doi-asserted-by":"crossref","first-page":"5924","DOI":"10.2174\/0109298673325827240926081845","article-title":"Molecular docking in drug discovery: Techniques, applications, and advancements","volume":"32","author":"Aguiar","year":"2025","journal-title":"Curr. Med. Chem."},{"key":"ref_28","doi-asserted-by":"crossref","first-page":"W159","DOI":"10.1093\/nar\/gkac394","article-title":"CB-Dock2: Improved protein-ligand blind docking by integrating cavity detection, docking and homologous template fitting","volume":"50","author":"Liu","year":"2022","journal-title":"Nucleic Acids Res."},{"key":"ref_29","doi-asserted-by":"crossref","first-page":"106620","DOI":"10.1016\/j.fitote.2025.106620","article-title":"Antiviral activity against HSV-1 of triterpene saponins from Anagallis arvensis is related to the fusion-inhibitory activity of desglucoanagalloside B","volume":"184","author":"Classen","year":"2025","journal-title":"Fitoterapia"},{"key":"ref_30","doi-asserted-by":"crossref","first-page":"e01449","DOI":"10.1002\/cbdv.202501449","article-title":"Tandem mass spectrometry and bio-guided isolation of secondary metabolites with antiplasmodial activity from Dalbergia miscolobium bark","volume":"22","author":"Dantas","year":"2025","journal-title":"Chem. Biodivers."},{"key":"ref_31","first-page":"323","article-title":"Absorbed components and mechanisms of Qibi Decoction against prostate cancer based on UHPLC-Q-Orbitrap and network pharmacology","volume":"41","author":"Mou","year":"2026","journal-title":"Drugs Clin."},{"key":"ref_32","doi-asserted-by":"crossref","first-page":"62","DOI":"10.1016\/j.ymeth.2025.07.002","article-title":"A photoactivatable chemical lipidomics approach for local sphingolipid metabolic analysis","volume":"242","author":"Wang","year":"2025","journal-title":"Methods"},{"key":"ref_33","doi-asserted-by":"crossref","unstructured":"Dai, W., Li, B., Xiong, Y., Dai, L., Tian, Y., Zhang, L., Wang, Q., and Qian, G. (2024). Non-volatile component and antioxidant activity: A comparative analysis between Litsea cubeba branches and leaves. Molecules, 29.","DOI":"10.3390\/molecules29040788"},{"key":"ref_34","doi-asserted-by":"crossref","first-page":"1979","DOI":"10.1158\/1055-9965.EPI-25-0801","article-title":"Molecular reactivity in maternal pregnancy blood and neonatal dried blood spots is associated with the risk of pediatric acute lymphoblastic leukemia","volume":"34","author":"Petrick","year":"2025","journal-title":"Cancer Epidemiol. Biomark. Prev."},{"key":"ref_35","doi-asserted-by":"crossref","first-page":"102667","DOI":"10.1016\/j.arr.2025.102667","article-title":"Oxidative stress and mitochondrial impairment: Key drivers in neurodegenerative disorders","volume":"104","author":"Wen","year":"2025","journal-title":"Ageing Res. Rev."},{"key":"ref_36","doi-asserted-by":"crossref","first-page":"105296","DOI":"10.1016\/j.tifs.2025.105296","article-title":"Advances in flavonoid glycosylation: Chemical and biological basis, mechanisms, physicochemical properties, and applications in the food industry","volume":"165","author":"Lai","year":"2025","journal-title":"Trends Food Sci. Technol."},{"key":"ref_37","doi-asserted-by":"crossref","first-page":"1042","DOI":"10.1007\/s10495-025-02078-0","article-title":"Magea13 attenuates myocardial injury in acute myocardial infarction by inhibiting the cAMP-PKA signaling pathway","volume":"30","author":"Zheng","year":"2025","journal-title":"Apoptosis"},{"key":"ref_38","doi-asserted-by":"crossref","first-page":"69","DOI":"10.1007\/s11302-024-10044-9","article-title":"Purinergic signaling in liver disease: Calcium signaling and induction of inflammation","volume":"21","author":"Ulrich","year":"2025","journal-title":"Purinergic Signal."},{"key":"ref_39","doi-asserted-by":"crossref","first-page":"2015","DOI":"10.2337\/db14-0093","article-title":"Central inhibition of IKK\u03b2\/NF-\u03baB signaling attenuates high-fat diet-induced obesity and glucose intolerance","volume":"64","author":"Benzler","year":"2015","journal-title":"Diabetes"},{"key":"ref_40","doi-asserted-by":"crossref","first-page":"143525","DOI":"10.1016\/j.molstruc.2025.143525","article-title":"Inhibition mechanisms of butein on \u03b1-glucosidase and pancreatic lipase: Multi-spectroscopic and molecular docking analysis","volume":"1348","author":"He","year":"2025","journal-title":"J. Mol. Struct."},{"key":"ref_41","unstructured":"U.S. Food and Drug Administration (2015). PRECOSE (Acarbose Tablets): Prescribing Information."},{"key":"ref_42","doi-asserted-by":"crossref","first-page":"779","DOI":"10.1111\/1753-0407.13163","article-title":"Inhibition of \u03b1-glucosidase and \u03b1-amylase by herbal compounds for the treatment of type 2 diabetes: A validation of in silico reverse docking with in vitro enzyme assays","volume":"13","author":"Tolmie","year":"2021","journal-title":"J. Diabetes"},{"key":"ref_43","doi-asserted-by":"crossref","first-page":"6903","DOI":"10.1039\/D3CP03492E","article-title":"Elucidation of protein-ligand interactions by multiple trajectory analysis methods","volume":"26","author":"Wu","year":"2024","journal-title":"Phys. Chem. Chem. Phys."},{"key":"ref_44","doi-asserted-by":"crossref","first-page":"10569","DOI":"10.1038\/s41598-022-14896-2","article-title":"Design, synthesis, in vitro \u03b1-glucosidase inhibition, docking, and molecular dynamics of new phthalimide-benzenesulfonamide hybrids for targeting type 2 diabetes","volume":"12","author":"Askarzadeh","year":"2022","journal-title":"Sci. Rep."},{"key":"ref_45","doi-asserted-by":"crossref","first-page":"449","DOI":"10.1517\/17460441.2015.1032936","article-title":"The MM\/PBSA and MM\/GBSA methods to estimate ligand-binding affinities","volume":"10","author":"Genheden","year":"2015","journal-title":"Expert Opin. Drug Discov."},{"key":"ref_46","doi-asserted-by":"crossref","first-page":"9478","DOI":"10.1021\/acs.chemrev.9b00055","article-title":"End-point binding free energy calculation with MM\/PBSA and MM\/GBSA: Strategies and applications in drug design","volume":"119","author":"Wang","year":"2019","journal-title":"Chem. Rev."}],"container-title":["Foods"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/www.mdpi.com\/2304-8158\/15\/17\/3167\/pdf","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2026,9,9]],"date-time":"2026-09-09T04:14:14Z","timestamp":1788927254000},"score":1,"resource":{"primary":{"URL":"https:\/\/www.mdpi.com\/2304-8158\/15\/17\/3167"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2026,9,7]]},"references-count":46,"journal-issue":{"issue":"17","published-online":{"date-parts":[[2026,9]]}},"alternative-id":["foods15173167"],"URL":"https:\/\/doi.org\/10.3390\/foods15173167","relation":{},"ISSN":["2304-8158"],"issn-type":[{"value":"2304-8158","type":"electronic"}],"subject":[],"published":{"date-parts":[[2026,9,7]]}}}