Salva Asghar, Cibele A Cesila, Gracimerio J Guarneire, Samira C C Ludgero, Sandra B R Castro, Alessandra P Carli, Caio César S Alves, Danielle F Dias, Marisi G Soares, Nerilson M Lima
{"title":"Integrating cytotoxicity and NMR-based metabolomics to uncover bioactive aporphine alkaloids and pentacyclic triterpenoids from <i>Siparuna guianensis</i>.","authors":"Salva Asghar, Cibele A Cesila, Gracimerio J Guarneire, Samira C C Ludgero, Sandra B R Castro, Alessandra P Carli, Caio César S Alves, Danielle F Dias, Marisi G Soares, Nerilson M Lima","doi":"10.1080/14786419.2026.2724378","DOIUrl":"https://doi.org/10.1080/14786419.2026.2724378","url":null,"abstract":"<p><p><i>Siparuna guianensis</i> is a medicinal species widely used in South America, although its cytotoxic constituents remain poorly characterised. In this study, the hydroethanolic leaf extract and solvent-partitioned fractions (hexane, ethyl acetate, butanol, aqueous and alkaloid fraction) were evaluated against MCF-7, 4T1, and MDA-MB-231 breast cancer cell lines and subsequently investigated by NMR-based metabolomics. The crude extract, hexane, and ethyl acetate fractions exhibited the strongest cytotoxic effects, whereas the butanol, alkaloid and aqueous fractions showed little or no activity. NMR-guided dereplication suggested the occurrence of aporphine and oxoaporphine alkaloids, including glaucine-, norglaucine-, isocorydine-, N-methyllaurotetanine-, oxoglaucine-, liriodenine-, and dehydroglaucine-related compounds. Pentacyclic triterpenoids tentatively annotated included lupeol-, taraxerol-, taraxasterol-, pseudotaraxasterol-, ursane-, and oleanane-type derivatives. The enrichment of these relatively apolar metabolites in the active fractions suggests a direct association with the observed antitumoral effects through chemometric analysis. These findings highlight <i>S. guianensis</i> as a promising source of cytotoxic natural products for anticancer research.</p>","PeriodicalId":18990,"journal":{"name":"Natural Product Research","volume":" ","pages":"1-7"},"PeriodicalIF":1.8,"publicationDate":"2026-09-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148888003","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Wafa Thabet, Saeed Salem Mohammed, Khaled Saeed Alsweedi, Wafa F S Badulla, Adel A M Saeed
{"title":"Comprehensive chemical profiling of <i>Vitex agnus-castus</i> L. leaves: analytical validation of bioactive lipids, phytosterols, and nutritional elements.","authors":"Wafa Thabet, Saeed Salem Mohammed, Khaled Saeed Alsweedi, Wafa F S Badulla, Adel A M Saeed","doi":"10.1080/14786419.2026.2728118","DOIUrl":"https://doi.org/10.1080/14786419.2026.2728118","url":null,"abstract":"<p><p>This study provides a targeted bioactive lipid and nutritional profile of the under-investigated leaves of <i>Vitex agnus-castus</i> L. An absolute methanolic extract of shade-dried leaves was analysed using gas chromatography/mass spectrometry (GC/MS) after derivatization, alongside essential mineral quantification <i>via</i> atomic absorption spectroscopy (AAS) and proximate analysis. Rigorous data validation excluded analytical artefacts. GC/MS tentatively identified ten validated bioactive compounds, predominantly glycerol (45.21%, a lipid hydrolysis artefact), oleic acid (9.89%), and palmitic acid (9.16%), alongside phytosterols stigmasterol (1.14%) and ergosterol (0.84%). AAS revealed rich essential trace elements, specifically iron (49.8 ppm) and zinc (33.8 ppm). Proximate analysis showed moisture (7.15%), ash (9.53%), protein (13.42%), crude fibre (26.05%), fat (4.25%), and carbohydrates (39.60%). The combination of high crude fibre, moderate protein, and skin-compatible fatty acids highlights <i>V. agnus-castus</i> leaves as realistic raw materials for fibre-fortified animal feed, dietary fibre supplements, and topical cosmeceutical formulations, providing a solid foundation for future therapeutic exploration.</p>","PeriodicalId":18990,"journal":{"name":"Natural Product Research","volume":" ","pages":"1-6"},"PeriodicalIF":1.8,"publicationDate":"2026-09-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148875243","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Revealing the anti-ferroptosis guanidine alkaloids from <i>Buthus martensii</i> Karsch via a NMR-guided isolation combined with in vitro, in silico, and network pharmacology.","authors":"Wen-Kai Zhao, Tao-Li Hao, Ya-Zhou Kuang, Tong Sun, Hong-Bing Zhang, Yu-Ming Liu","doi":"10.1080/14786419.2026.2725781","DOIUrl":"https://doi.org/10.1080/14786419.2026.2725781","url":null,"abstract":"<p><p>By combining NMR fingerprint with rapid activity screening of eight crude fractions, eleven guanidine alkaloids were obtained from <i>Buthus martensii</i> Karsch, including one new natural product <b>7</b> and one new compound <b>10.</b> Fraction 6 (IC<sub>50</sub> = 141.40 ± 0.21 μg/mL) and Fraction 7 (IC<sub>50</sub> = 50.89 ± 1.43 μg/mL) showed radical scavenging activity, and compound <b>8</b> exhibited the most potent free radical scavenging activity with an IC<sub>50</sub> value of 5.09 ± 0.12 μg/mL. Their anti-ferroptotic capacities were validated across FerroOrange staining, which revealed that compounds <b>1</b> and <b>7</b> significantly inhibited erastin-induced ferroptosis in H9c2 cardiomyocytes. Through network pharmacology, these alkaloids appeared to exert their effects by modulating core targets related to ferroptosis, such as AKT1, EGFR, SRC, HSP90AA1, CASP3, and ESR1, with the notable impacts on the PI3K-Akt signalling pathway and Lipid and atherosclerosis. Molecular docking analysis confirmed the strong binding affinities and stabilities between guanidine alkaloids and these targets.</p>","PeriodicalId":18990,"journal":{"name":"Natural Product Research","volume":" ","pages":"1-15"},"PeriodicalIF":1.8,"publicationDate":"2026-09-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148880300","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Riham A El-Shiekh, Asmaa A Mandour, Essam Abdel-Sattar, Nermeen B Ali
{"title":"Phytochemical profiling of <i>Olea europaea</i> subsp. <i>cuspidata</i> aerial parts using LC-DAD-QToF: cholinesterase inhibition and molecular docking insights into potential Alzheimer's disease targets.","authors":"Riham A El-Shiekh, Asmaa A Mandour, Essam Abdel-Sattar, Nermeen B Ali","doi":"10.1080/14786419.2026.2727544","DOIUrl":"https://doi.org/10.1080/14786419.2026.2727544","url":null,"abstract":"<p><p><i>Olea europaea</i> subsp<i>. cuspidata</i> is traditionally used in African medicine, but its phytochemical composition and cholinesterase inhibitory activity have not been comprehensively investigated. This study evaluated the cholinesterase inhibitory activity and phytochemical profile of the methanolic extract of <i>O. europaea</i> aerial parts, integrating <i>in vitro</i> assays with LC-DAD-QToF-MS characterisation and molecular modelling. We used the Ellman assay to measure cholinesterase inhibition and LC-DAD-QToF-MS for metabolite profiling, while molecular docking and dynamics simulations helped us understand how specific metabolites interact with human acetylcholinesterase (AChE) and butyrylcholinesterase (BChE). The extract inhibited AChE (IC<sub>50</sub> = 15.99 ± 1.62 μg/mL) to a greater extent than BChE (IC<sub>50</sub> = 22.62 ± 2.20 μg/mL). LC-DAD-QToF-MS allowed the tentative identification of 65 metabolites, comprising iridoids, phenylethanoids, flavonoids, phenolic acids, terpenoids, fatty acids, and one alkaloid. Computational predictions support potential interactions only between constituents within the enzyme active sites but do not establish biological activity. These results offer the first detailed phytochemical profile of the aerial parts of <i>O. europaea</i> and confirm its <i>in vitro</i> cholinesterase inhibitory activity. Bioactivity-guided isolation and <i>in vivo</i> studies are required to pinpoint the metabolites responsible for the observed effects and to establish their therapeutic relevance.</p>","PeriodicalId":18990,"journal":{"name":"Natural Product Research","volume":" ","pages":"1-10"},"PeriodicalIF":1.8,"publicationDate":"2026-09-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148875297","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Xanthomicrol shifts the ERα/ERβ balance and promotes a less aggressive phenotype in SKOV‑3 ovarian cancer cells.","authors":"Isis Santos, Gabriel Gutiérrez-Ospina, Adelina Jiménez-Arellanes, Norma Oviedo, Gerardo Perera-Marín, Eunice López-Muñoz, Arturo Aguilar-Rojas, Aleida Olivares","doi":"10.1080/14786419.2026.2724379","DOIUrl":"https://doi.org/10.1080/14786419.2026.2724379","url":null,"abstract":"<p><p>Conventional therapies for epithelial ovarian cancer (EOC) often fail to prevent metastasis and recurrence. A critical determinant of EOC behaviour is the ERα/ERβ ratio, where ERα promotes tumorigenesis and ERβ exerts tumour-suppressive effects. This study investigated the effects of xanthomicrol, a polymethoxyflavone, on SKOV-3 cells. Xanthomicrol significantly modulated the oestrogen receptor balance by decreasing ERα and increasing ERβ expression, while upregulating the tumour-suppressive receptor GPER. Functionally, xanthomicrol attenuated cell migration and reduced proliferation without compromising cell viability. Notably, this effect persisted for 96 h following treatment withdrawal. These findings indicate that xanthomicrol reprograms EOC cells towards a less aggressive phenotype. Further <i>in vivo</i> studies are warranted to determine if this phenotypic shift can effectively mitigate EOC progression and clinical recurrence.</p>","PeriodicalId":18990,"journal":{"name":"Natural Product Research","volume":" ","pages":"1-9"},"PeriodicalIF":1.8,"publicationDate":"2026-09-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148880541","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Nhi Hoang Ngoc Nguyen, Thy Ha Huynh, Gabriel Linh Phuc Nguyen, Tien Minh Nguyen, Trang Kieu The Ngo, Kiep Minh Do, Chi Kim Thi Le, Huong Lien Ton-Nu, Hien Minh Nguyen
{"title":"UHPLC-QTOF-MS-based chemical profiling and pharmacological assessment of <i>Eurya nitida</i> Korth. stem extracts.","authors":"Nhi Hoang Ngoc Nguyen, Thy Ha Huynh, Gabriel Linh Phuc Nguyen, Tien Minh Nguyen, Trang Kieu The Ngo, Kiep Minh Do, Chi Kim Thi Le, Huong Lien Ton-Nu, Hien Minh Nguyen","doi":"10.1080/14786419.2026.2725776","DOIUrl":"https://doi.org/10.1080/14786419.2026.2725776","url":null,"abstract":"<p><p>This study reports, for the first time, the microscopic characteristics, HPTLC fingerprinting, UHPLC-QTOF-MS profiling, and biological activities of <i>Eurya nitida</i> Korth. stem extracts, including those obtained with <i>n</i>-hexane, ethyl acetate (EtOAc), <i>n</i>-butanol (<i>n</i>-BuOH), methanol (MeOH), and water. UHPLC-QTOF-MS analysis tentatively identified nine compounds in the MeOH extract. All extracts demonstrated notable <i>in vitro</i> antioxidant activity. The EtOAc exhibited the strongest effects, significantly reducing TNF-<i>α</i> levels and correlating with high total phenolic, flavonoid, and procyanidin contents. The <i>n</i>-hexane extract exhibited the highest <i>α</i>-amylase inhibitory activity (49.86 ± 1.54% at 500 µg/mL). The EtOAc extract showed good <i>α</i>-glucosidase inhibition (IC<sub>50</sub> of 129.8 ± 1.98 µg/mL). Both these extracts displayed significant anti-inflammatory activity without cytotoxicity in RAW 264.7 cells and demonstrated selective cytotoxicity against MCF-7 and HeLa cancer cell lines. The extracts had insignificant AChE inhibition. Overall, <i>E. nitida</i> stem extracts exhibit promising potential for skincare, anti-inflammatory, and cancer-related applications.</p>","PeriodicalId":18990,"journal":{"name":"Natural Product Research","volume":" ","pages":"1-8"},"PeriodicalIF":1.8,"publicationDate":"2026-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148875260","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Influence of extraction techniques on phenolic profiles and antioxidant activity in seeds and pulp of the African breadfruit (<i>Treculia africana</i>): insights into an underutilized resource.","authors":"Alex-Benedict Atsé, Cedric Falco, Isabelle Bonnard, Anne-Cecile Ribou","doi":"10.1080/14786419.2026.2707642","DOIUrl":"https://doi.org/10.1080/14786419.2026.2707642","url":null,"abstract":"<p><p>Wild plants, such as African breadfruit (<i>Treculia africana</i>), represent a valuable yet underutilised resource for nutrition, health, and sustainable food systems. Too often displaced by imported, carbohydrate-rich products, these resources deserve renewed attention. Combining traditional knowledge and scientific research may help better characterise these resources and support their local valorisation. This study examines the phytochemical composition and <i>in vitro</i> antioxidant activity of <i>T. africana</i>, with a focus on phenolic compounds. Unlike previous research that emphasised seeds, we analysed both seeds and pulp using extraction methods compatible with traditional practice (aqueous, hydroethanolic, and heat-assisted techniques). Heat improved phenolic recovery from the pulp, while ethanol addition was more effective for the seeds. A positive correlation was found between phytochemical content and antioxidant activity, highlighting the importance of considering both plant parts. Multivariate analysis showed how plant part and extraction method influence the phytochemical profiles and <i>in vitro</i> antioxidant responses of <i>T. africana</i>.</p>","PeriodicalId":18990,"journal":{"name":"Natural Product Research","volume":" ","pages":"1-8"},"PeriodicalIF":1.8,"publicationDate":"2026-08-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148865928","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Pyranonaphthoquinone derivative dimer and naphthalene derivatives from <i>Ventilago denticulata</i> (willd.) roots: isolation, structure elucidation, and cytotoxic activity.","authors":"Kanokwan Photai, Mongkol Nontakitticharoen, Jiratthakan Prathumchat, Chadaporn Leerat, Thanaset Senawong, Surapon Saensouk, Jaursup Boonmak, Siripit Pitchuanchom","doi":"10.1080/14786419.2026.2723603","DOIUrl":"https://doi.org/10.1080/14786419.2026.2723603","url":null,"abstract":"<p><p>Phytochemical investigation of the roots of <i>Ventilago denticulata</i> afforded three previously undescribed metabolites, a pyranonaphthoquinone derivative dimer, ventilanone W (<b>1</b>), and two naphthalene derivatives, ventilagodenins C (<b>2</b>) and D (<b>3</b>), together with sixteen known compounds (<b>4</b>-<b>19</b>). The structures were established by IR, one-dimensional (<sup>1</sup>H,<sup>13</sup>C, and DEPTQ-135) and two-dimensional (HSQC, COSY, NOESY, and HMBC) NMR, and high-resolution mass spectrometry. The structure of <b>1</b> was further confirmed by single-crystal X-ray diffraction. Selected isolates were assessed for <i>in vitro</i> cytotoxicity against HeLa, A549, and MCF-7 cell lines using the MTT assay. Compound <b>2</b> showed moderate cytotoxicity, with IC<sub>50</sub> values of 28.54 ± 0.45, 25.56 ± 0.71, and 30.57 ± 0.54 µM, respectively, while <b>8</b> exhibited moderate activity, with IC<sub>50</sub> values of 32.97 ± 0.44, 21.28 ± 0.13, and 12.17 ± 0.10 µM, respectively. These results enrich the phytochemical profile of <i>V. denticulata</i> and highlight <b>2</b> and <b>8</b> as bioactive constituents.</p>","PeriodicalId":18990,"journal":{"name":"Natural Product Research","volume":" ","pages":"1-11"},"PeriodicalIF":1.8,"publicationDate":"2026-08-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148860351","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Zhongde Xie, Xiaoyuan Peng, Xuelian Dai, Liqing Wang
{"title":"Investigating the hepatoprotective effects of <i>Lonicera confusa</i> against acetaminophen-induced acute liver injury: a systematic pharmacological approach.","authors":"Zhongde Xie, Xiaoyuan Peng, Xuelian Dai, Liqing Wang","doi":"10.1080/14786419.2026.2720528","DOIUrl":"https://doi.org/10.1080/14786419.2026.2720528","url":null,"abstract":"<p><p>Acetaminophen (APAP) overdose frequently leads to acute liver injury (ALI), driven by oxidative stress and inflammation from toxic metabolites. Current treatments like N-acetylcysteine have a narrow therapeutic window, highlighting the need for novel herbal alternatives. This study investigated the hepatoprotective mechanisms of <i>Lonicera confusa</i> (SYH) against APAP-induced ALI using an integrated network pharmacology and molecular docking approach. We identified 33 active compounds and 55 potential targets. Protein-protein interaction analysis revealed five core targets: IL6, TNF, EGFR, CASP3, and TLR4. Enrichment analyses indicated SYH modulates key pathways related to oxidative stress and inflammation, including PI3K-AKT, NF-κB, and TNF pathways. Through molecular docking, strong binding affinities were confirmed, and apigetrin exhibited high affinity for the core targets. Subsequent <i>in vivo</i> validation demonstrated that apigetrin effectively alleviated APAP-induced ALI and inflammatory responses in mice. Collectively, these results suggest SYH mitigates ALI by inhibiting the pro-inflammatory TLR4/MYD88/NF-κB pathway and activating the antioxidant Keap-1/Nrf2/HO-1/NQO1 pathway.</p>","PeriodicalId":18990,"journal":{"name":"Natural Product Research","volume":" ","pages":"1-6"},"PeriodicalIF":1.8,"publicationDate":"2026-08-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148818886","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
István Tócsik, Zoltán Cziáky, Gokhan Zengin, Judit Csabai, Lajos Nagy, József Jekő
{"title":"Screening the chemical constituents and studying the biological activities of <i>Ruta graveolens L</i>.","authors":"István Tócsik, Zoltán Cziáky, Gokhan Zengin, Judit Csabai, Lajos Nagy, József Jekő","doi":"10.1080/14786419.2026.2722346","DOIUrl":"https://doi.org/10.1080/14786419.2026.2722346","url":null,"abstract":"<p><p><i>Ruta graveolens</i> L. has been utilised for millennia in both traditional medicine and culinary applications. Although <i>Ruta graveolens</i> L. has been extensively studied, advances in modern analytical techniques-with their significantly improved sensitivity-now enable the identification of additional, potentially bioactive compounds. In this study, extracts of root, leaf, and inflorescence of <i>Ruta graveolens</i> L. were studied by ultra-high-performance liquid chromatography coupled with tandem mass spectrometry operated in both positive and negative ion mode to characterise their chemical composition. Almost 90 derivatives were identified, including several previously not reported ones such as 1-methyl-2-heptyl-4(1<i>H</i>)-quinolinone. The total phenolic content, total flavonoid content, antioxidant and enzyme inhibition activities were also determined for root, leaf, and inflorescence. It was found that the root showed the highest total phenolic content and antioxidant activity values, while the total flavonoid content and enzyme inhibition activity were obtained to be highest for leaf and inflorescence, respectively.</p>","PeriodicalId":18990,"journal":{"name":"Natural Product Research","volume":" ","pages":"1-10"},"PeriodicalIF":1.8,"publicationDate":"2026-08-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148813637","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}