Xiao-Yu Shi, Yao-Guang Huang, Xu-Peng Yang, Yan Xu, Jing-Ming Jia, An-Hua Wang
{"title":"Two undescribed constituents from <i>Schisandra chinensis</i> (Turcz.) Baill. and evaluation of their anti-oxidant activity.","authors":"Xiao-Yu Shi, Yao-Guang Huang, Xu-Peng Yang, Yan Xu, Jing-Ming Jia, An-Hua Wang","doi":"10.1080/14786419.2025.2527870","DOIUrl":"https://doi.org/10.1080/14786419.2025.2527870","url":null,"abstract":"<p><p>Phytochemical investigation of <i>Schisandra chinensis</i> (Turcz.) Baill. stems and leaves yielded two new descending triterpenes, pre-schisanyyqxin A (<b>1</b>) and pre-schisanyyqxin B (<b>2</b>), along with six known congeners (<b>3</b>-<b>8</b>). Structural characterisation was accomplished through integrated spectroscopic analysis (1D/2D NMR, HRESIMS, UV-Vis) complemented by ECD calculations and literature comparison. Additionally, the compounds were tested for their anti-oxidant capacity, with compounds <b>3</b>-<b>8</b> exhibiting varying degrees of anti-oxidant activity.</p>","PeriodicalId":18990,"journal":{"name":"Natural Product Research","volume":" ","pages":"1-7"},"PeriodicalIF":1.9,"publicationDate":"2025-07-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144608898","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}
Regina Lis Gasparetto, Camila Esmerio Reginato-Couto, Guilherme Moreschi Gerhardt, Carlos Rafael Vaz, Márvia Cleysse Cunha Correia, Luiza Garcia de Souza, Amélia Teresinha Henriques, Fávero Reisdorfer Paula, Renata Biegelmeyer, Solange Cristina Garcia, Marcelo Dutra Arbo, José Roberto Santin, Tania Mari Bellé Bresolin, Luiz Carlos Klein-Junior
{"title":"Physicochemical stability and toxicity assessment of cimitrypazepine, an azepino[5,4,3-<i>cd</i>]indole alkaloid.","authors":"Regina Lis Gasparetto, Camila Esmerio Reginato-Couto, Guilherme Moreschi Gerhardt, Carlos Rafael Vaz, Márvia Cleysse Cunha Correia, Luiza Garcia de Souza, Amélia Teresinha Henriques, Fávero Reisdorfer Paula, Renata Biegelmeyer, Solange Cristina Garcia, Marcelo Dutra Arbo, José Roberto Santin, Tania Mari Bellé Bresolin, Luiz Carlos Klein-Junior","doi":"10.1080/14786419.2025.2528975","DOIUrl":"https://doi.org/10.1080/14786419.2025.2528975","url":null,"abstract":"<p><p>Cimitrypazepine is an azepino[5,4,3-<i>cd</i>]indole alkaloid and is able to modulate CNS targets. However, there is a lack of information regarding the safety of this compound. Here, the chemical stability and toxicity of cimitrypazepine were assessed. <i>In silico</i> studies demonstrated that C-5, in the indole moiety, can undergo hydrolytic reactions; C-3, in the azepine moiety, is the most susceptible to oxidative degradation. Through <i>in vitro</i> assays, cimitrypazepine was unstable to acidic conditions, degrading by ∼50% in 3 h. Regarding toxicity, the alkaloid decreased HepG2 cells viability by 21% at 10 μM. It did not influence AST and LDH levels, but increased ALT levels. Genotoxicity, evaluated by the comet assay, was observed for concentrations above 2.5 mM. Finally, using zebrafish embryos, the LC<sub>50</sub> at 96 h post-fertilization was estimated as 326 μM. This study highlights that care must be taken regarding cimitrypazepine concentration and formulation, to avoid toxicity and degradation.</p>","PeriodicalId":18990,"journal":{"name":"Natural Product Research","volume":" ","pages":"1-10"},"PeriodicalIF":1.9,"publicationDate":"2025-07-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144600988","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}
Talea Sana, Hira Noor Malik, Syeda Farah Shah, Komal Zia, Bina S Siddiqui, Zaheer Ul-Haq, Sabira Begum, Taibi B Hadda, Almas Jabeen
{"title":"Immunomodulatory effects of arborside C pentaacetate- an iridoid glycoside acetate isolated from <i>Nyctanthes arbor-tristis</i> Linn. and <i>in vitro</i> and <i>in silico</i> studies.","authors":"Talea Sana, Hira Noor Malik, Syeda Farah Shah, Komal Zia, Bina S Siddiqui, Zaheer Ul-Haq, Sabira Begum, Taibi B Hadda, Almas Jabeen","doi":"10.1080/14786419.2025.2526737","DOIUrl":"https://doi.org/10.1080/14786419.2025.2526737","url":null,"abstract":"<p><p>Following a bio-assay guided fractionation and chromatographic separations a known compound arborside C pentaacetate was isolated. Immunomodulatory effects of arborside C pentaacetate were revealed by inhibition of NO, pro-inflammatory mediators, IL-6, TNF-α, and NF-κB at translational level in an <i>in vitro</i> study. The docking results revealed that arborside C pentaacetate bind strongly to the target protein with the docking score of -10.38 kcal/mol. The compound was non-toxic on normal human fibroblast (BJ) and THP-1 cells and, could be a potential therapeutic agent in inflammation driven diseases.</p>","PeriodicalId":18990,"journal":{"name":"Natural Product Research","volume":" ","pages":"1-7"},"PeriodicalIF":1.9,"publicationDate":"2025-07-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144591826","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}
Anne Katherine C Gomes, Rodolfo Goetze Fiorot, Anne Caroline C Gomes, Naomi Kato Simas
{"title":"\"Exploring flavonoids as potential therapeutics for diabetic neuropathy: ADMET predictions and molecular docking studies\".","authors":"Anne Katherine C Gomes, Rodolfo Goetze Fiorot, Anne Caroline C Gomes, Naomi Kato Simas","doi":"10.1080/14786419.2025.2529558","DOIUrl":"10.1080/14786419.2025.2529558","url":null,"abstract":"<p><p>Neuropathic pain is a type of chronic pain that occurs as a direct consequence of an injury or diseases that affect the somatosensory system, such as diabetes, which characterises diabetic neuropathy. Conventional treatments, including opioids, tricyclic antidepressants and anticonvulsants, are not fully effective and can cause severe side effects such as respiratory depression and cardiotoxicity. Natural products, particularly flavonoids, emerge as promising alternatives. This study reviewed flavonoids from literature as potential diabetic neuropathy treatments and evaluated their pharmacokinetics, toxicity, and structure-activity relationships (SAR). Isoflavones and flavones showed the most favourable profiles in cytotoxicity tests, hERG channel safety, and Ames test. These flavonoids exhibited high affinity for NMDA receptors, with significant interaction energy (-8.5 to -10.6 kcal mol<sup>-1</sup>) involving key amino acids. These findings highlight isoflavones and flavones as potential candidates for further research into alternative treatments for neuropathic pain, offering hope for effective and safer therapies for this debilitating condition.</p>","PeriodicalId":18990,"journal":{"name":"Natural Product Research","volume":" ","pages":"1-23"},"PeriodicalIF":1.9,"publicationDate":"2025-07-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144600986","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}
Vu Thanh Nguyen, Van Bui Thị Thu, Thao Vo Thi Minh, Khang Huynh Vinh, Nguyen Lam Vy, Vy Nguyen Hoang Thuy, Thanh Luu Pham, Tong Xuan Nguyen, Dinh Thi Thuy, Huu Duc Huynh, Truong Giang Nguyen
{"title":"UPLC-QTOF-MS/MS-Guided phytochemical characterization and molecular docking of <i>Rosa rusoga</i> extract for Keap1-Nrf2 modulation.","authors":"Vu Thanh Nguyen, Van Bui Thị Thu, Thao Vo Thi Minh, Khang Huynh Vinh, Nguyen Lam Vy, Vy Nguyen Hoang Thuy, Thanh Luu Pham, Tong Xuan Nguyen, Dinh Thi Thuy, Huu Duc Huynh, Truong Giang Nguyen","doi":"10.1080/14786419.2025.2528151","DOIUrl":"https://doi.org/10.1080/14786419.2025.2528151","url":null,"abstract":"<p><p><i>Rosa rugosa</i> extract (RRE) is traditionally used for its antioxidant properties, but its molecular mechanisms remain unclear. This study investigated the ability of RRE to activate the Keap1-Nrf2 pathway, a key regulator of oxidative stress defense. UPLC-QTOF-MS/MS identified 91 phytochemicals, with 10 major compounds, including flavonoids, triterpenoids, and alkaloids. Molecular docking revealed that 3-<i>trans-p</i>-coumaroylrotundic acid, gallocatechin-(4→8)-epicatechin, and ginsenoside Rf interact with the Kelch domain of Keap1, potentially preventing Nrf2 degradation. Functional validation <i>via</i> Nrf2-knockout zebrafish (<i>nfe2l2a<sup>dl703/dl703</sup></i>) confirmed that RRE enhances oxidative stress resistance and upregulates the expression of antioxidant genes (<i>gstp1</i> and <i>prdx1</i>) in an Nrf2-dependent manner. These findings suggest that RRE acts as a natural Keap1 inhibitor, supporting Nrf2-driven cytoprotection. This study provides a mechanistic basis for the traditional use of RRE in oxidative stress management, highlighting its potential for nutraceutical and therapeutic applications.</p>","PeriodicalId":18990,"journal":{"name":"Natural Product Research","volume":" ","pages":"1-9"},"PeriodicalIF":1.9,"publicationDate":"2025-07-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144591827","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":"Unsaturated lactones from <i>Aspergillus ochraceopetaliformis</i>.","authors":"Jing-Jie Bai, Hong-Qian Pan, Qiong Liu, Duo-Xiu Li, Bai-Chuan Zhu, Ying-Ming Zhang, Ai-Hong Zhao, Cheng-Shan Yuan","doi":"10.1080/14786419.2025.2529564","DOIUrl":"https://doi.org/10.1080/14786419.2025.2529564","url":null,"abstract":"<p><p>A new <i>α,β</i>-unsaturated lactone, 2-(1-hydroxy-2-methylpropyl)-4-isopropylfuran-1(4<i>H</i>)-one (<b>1</b>), along with nine known compounds (<b>2</b>-<b>10</b>), was isolated from <i>Aspergillus ochraceopetaliformis</i>. The structure of compound <b>1</b> was elucidated based on comprehensive spectroscopic analysis, including 1D and 2D NMR (HSQC, COSY, HMBC), and HR-ESI-MS spectrometry. The absolute configuration was determined by comparison of the experimental and time-dependent density functional theory (TDDFT)-calculated electronic circular dichroism (ECD) spectra. Herein, we report the isolation, structure elucidation, and cytotoxic evaluation of the isolated compounds.</p>","PeriodicalId":18990,"journal":{"name":"Natural Product Research","volume":" ","pages":"1-4"},"PeriodicalIF":1.9,"publicationDate":"2025-07-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144584370","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}
Pankaj Kumar Chaudhary, Deepika Saini, Amit Kumar Srivastava, Ramasare Prasad
{"title":"Assessment of antifungal and anti-biofilm potential of essential oil active constituents alone and in combinatorial mode of limonene and linalool against <i>Candida albicans</i> and <i>Candida tropicalis</i>.","authors":"Pankaj Kumar Chaudhary, Deepika Saini, Amit Kumar Srivastava, Ramasare Prasad","doi":"10.1080/14786419.2025.2526731","DOIUrl":"https://doi.org/10.1080/14786419.2025.2526731","url":null,"abstract":"<p><p>Opportunistic Candidiasis is rising among immunocompromised and elderly patients, with increasing antifungal resistance. This study evaluated five essential oil-derived compounds against <i>Candida albicans</i> and <i>Candida tropicalis</i>. Limonene showed the strongest antifungal activity, with minimum inhibitory concentration (MICs) of 32-64 µg/mL. Similarly, biofilm inhibition/eradication concentration (BIC/BEC) was found in followed the order: limonene > linalool > 1,8-cineole = 2-undecanone = borneol. Notably, the combination of limonene and linalool showed additive effects, with fractional inhibitory concentration index (FICI) values of 0.79 for <i>C. albicans</i> and 0.98 for <i>C. tropicalis</i>. This combinatorial approach, investigated for the first time, showed no significant cytotoxicity on human embryonic kidney (HEK-293) and human keratinocyte (HaCaT) cell lines. A co-culture model of <i>Candida</i> spp. and HaCaT cells was developed to study host-pathogen interactions and antifungal efficacy. Results highlight EO-ACs, especially limonene and linalool, as promising alternatives against resistant <i>Candida</i> infections.</p>","PeriodicalId":18990,"journal":{"name":"Natural Product Research","volume":" ","pages":"1-6"},"PeriodicalIF":1.9,"publicationDate":"2025-07-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144575827","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":"Isolation and characterization of a novel glycoside from the inner bark of <i>Sclerocarya birrea</i>: insights into antibiotic and anticancer activity.","authors":"Mokgadi Precious Mphahlele, Armand Mallé Lando, Michael Hermann Kamdem Kengne, Jordan Tonga Lembe, Pangaman Jiyane, Thierry Fonkui Youmbi, Vusani Mandiwana, Lerato Hlekelele, Marthe Carine Djuidje Fotsing, Edwin Mpho Mmutlane, Stéphane Zingue, Derek Tantoh Ndinteh","doi":"10.1080/14786419.2025.2524608","DOIUrl":"10.1080/14786419.2025.2524608","url":null,"abstract":"<p><p>Phytochemical analysis of the dichloromethane-methanol (1:1) extract from <i>Sclerocarya birrea</i> inner bark led to the identification of three compounds: a novel glycoside, 3α-sorbithoxyglucose (<b>1</b>), and two known compounds, retusasterol (<b>2</b>) and <i>β</i>-sitosterol-3-<i>O-D-</i>glycoside (<b>3</b>), isolated for the first time from this plant. Structural elucidation <i>via</i> NMR confirmed their identities. Cytotoxicity studies against MCF7 breast cancer and DU145, PC3, LNCaP prostate cancer cell lines revealed that compounds <b>1</b> and <b>2</b> lacked inhibitory effects on cell proliferation, while retusasterol exhibited cytotoxicity with CC<sub>50</sub> values of 38 μg/mL (DU145), 40 μg/mL (PC3), and 32 μg/mL (LNCaP). However, further analysis indicated that retusasterol promoted tumour cell proliferation. Antimicrobial screening of 3α-sorbithoxyglucose against <i>Bacillus subtilis</i>, <i>Enterococcus faecalis</i>, <i>Staphylococcus epidermidis</i>, <i>Staphylococcus aureus</i>, <i>Mycobacterium smegmatis</i>, <i>Enterobacter cloacae</i>, <i>Proteus vulgaris</i>, <i>Klebsiella oxytoca</i>, <i>Klebsiella pneumoniae</i>, <i>Proteus mirabilis</i>, <i>Escherichia coli</i>, and <i>Pseudomonas aeruginosa</i> revealed MIC values of 15.625-250 μg/mL, suggesting potential as an antimicrobial agent compared to standard antibiotics.</p>","PeriodicalId":18990,"journal":{"name":"Natural Product Research","volume":" ","pages":"1-12"},"PeriodicalIF":1.9,"publicationDate":"2025-07-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144567550","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}
Pham Thi Mai Huong, Do Hoang Anh, Le Thi Vien, Tran Thi Hong Hanh, Nguyen The Cuong, Nguyen Xuan Cuong, Nguyen Hoai Nam
{"title":"New sesquiterpene derivatives from stems and leaves of <i>Smallanthus sonchifolius</i>.","authors":"Pham Thi Mai Huong, Do Hoang Anh, Le Thi Vien, Tran Thi Hong Hanh, Nguyen The Cuong, Nguyen Xuan Cuong, Nguyen Hoai Nam","doi":"10.1080/14786419.2025.2528154","DOIUrl":"https://doi.org/10.1080/14786419.2025.2528154","url":null,"abstract":"<p><p>From the MeOH residue of <i>Smallanthus sonchifolius</i> stems and leaves, three new sesquiterpene derivatives, namely smallantholides A - C (<b>1 </b>-<b> 3</b>), and two know phenyl propanoid glycosides (<b>4</b> and <b>5</b>), were isolated using various chromatographic techniques. The structural elucidation was confirmed by spectroscopic methods including 1D, 2D NMR, CD and HR-TOF-MS. Moreover, the <i>in vitro α</i>-glucosidase inhibitory activity of <b>1 </b>-<b> 5</b> was also evaluated.</p>","PeriodicalId":18990,"journal":{"name":"Natural Product Research","volume":" ","pages":"1-7"},"PeriodicalIF":1.9,"publicationDate":"2025-07-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144567551","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":"A new acylated triterpene glycoside and cytotoxic constituents from Dolichandrone serrulata (Wall. ex DC.) Seem","authors":"Watcharapa Jitkaroon , Wirunya Sutassanawichanna , Roongtiwa Srisuphan , Pawaris Wongprayoon , Purin Charoensuksai , Kanok-on Rayanil","doi":"10.1080/14786419.2024.2306173","DOIUrl":"10.1080/14786419.2024.2306173","url":null,"abstract":"<div><div>In this study, a new acylated triterpene glycoside, 3<em>α</em>-<em>O</em>-stearoyl-28-[2′-stearoyl-<em>α</em>-<span>l</span>-arabinopyranosyl]-olean-12-en-28-oic acid (<strong>1</strong>), was isolated from the flowers of <em>Dolichandrone serrulata</em>. In addition to this compound, eleven known compounds were also isolated, including a related pentacyclic triterpenoid: ursolic acid (<strong>2</strong>), two cycloartane triterpenoids: 24-methylenecycloartanol (<strong>3</strong>) and 24-methylenecycloartane-3,28-diol (<strong>4</strong>), three cyclohexylethane derivatives: (-)-rengyolone (<strong>5</strong>), (-)-cleroindicin C (<strong>6</strong>) and (-)-cleroindicin D (<strong>7</strong>), an iridoid: 6-<em>O</em>-<em>trans</em>-feruloyl catalpol (<strong>8</strong>), two phenylethanoid glycosides: salidroside (<strong>9</strong>) and verbascoside (<strong>10</strong>), and two steroids: <em>β</em>-sitosterol (<strong>11</strong>) and <em>β</em>-sitosterol-3-<em>O</em>-<em>β</em>-<span>d</span>-glucopyranoside (<strong>12</strong>). The chemical structures of these compounds were determined by analysing their HRMS and NMR spectroscopic data. Additionally, their cytotoxic activities against NH22, HCT116, MCF7, MDA-MB-231, and HeLa cell lines were evaluated for all the compounds. Ursolic acid exhibited moderate cytotoxic activity against all cancer cell lines tested, particularly against HN22, MDA-MB-231, MCF-7, and HCT116 cells with IC<sub>50</sub> values of approximately 19<em>–</em>34 µM.</div></div>","PeriodicalId":18990,"journal":{"name":"Natural Product Research","volume":"39 13","pages":"Pages 3657-3664"},"PeriodicalIF":1.9,"publicationDate":"2025-07-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139542631","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}