FitoterapiaPub Date : 2025-02-25DOI: 10.1016/j.fitote.2025.106457
Sherien M. Bakry , Mahmoud Emam , Rasha A. Radwan , Sahar A. Hussein , Hamada Saad , Nesrine M. Hegazi
{"title":"Molecular networking guided metabolomics for mapping the secondary metabolome of six Melaleuca species and their digestive enzymes' inhibitory potential","authors":"Sherien M. Bakry , Mahmoud Emam , Rasha A. Radwan , Sahar A. Hussein , Hamada Saad , Nesrine M. Hegazi","doi":"10.1016/j.fitote.2025.106457","DOIUrl":"10.1016/j.fitote.2025.106457","url":null,"abstract":"<div><div><em>Melaleuca</em>, a member of the Myrtaceae family, comprises around 300 species that are originally endemic to Australia and Southeast Asia and are cultivated as ornamental plants in Egypt. <em>Melaleuca</em> species are recognized as profound producers of a wide array of secondary metabolites and are valued for their essential oils which are widely used in the pharmaceutical and cosmetic industries. Yet their secondary metabolome is not fully explored. A metabolomics approach compromising UPLC-HRMS/MS coupled with feature-based molecular networking (FBMN) was employed to glean a holistic overview of the secondary metabolome of six <em>Melaleuca</em> species cultivated in Egypt. Additionally, the extracts were screened for the <em>in vitro</em> inhibition of the digestive enzymes (<em>i.e.,</em> α-amylase and pancreatic lipase). The FBMNs allowed for the annotation of 195 metabolites, belonging to diverse chemical classes, such as phenolics and phenyl propanoids (<em>i.e.</em>, hydrolysable tannins, phenolic acids, chromones, flavonoids, stilbenes, and lignans), terpenoids (<em>i.e.,</em> megastigmanes, monoterpenes, and triterpenes), and other miscellaneous compounds. Among the annotated features only 15 % were previously reported to occur in the genus <em>Melaleuca</em>, and 11 metabolites were proposed as potentially new natural products. The adopted protocol highlighted the profound capability of <em>Melaleuca</em> plants to produce secondary metabolites of various chemical classes holding the potential to exhibit beneficial biological activities. For instance, the studied extracts diminished the activity of both the α-amylase and pancreatic lipase enzymes. Such findings propose the <em>Melaleuca</em> species as potential candidates for the development of plant-derived products for obesity management.</div></div>","PeriodicalId":12147,"journal":{"name":"Fitoterapia","volume":"182 ","pages":"Article 106457"},"PeriodicalIF":2.5,"publicationDate":"2025-02-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143519654","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
FitoterapiaPub Date : 2025-02-22DOI: 10.1016/j.fitote.2025.106452
Jin Tan, Fangqiong Li, Xin Zhang, Hongrui Zhu, Jin Liu, Taoqing Wu, Yang Zhang, Dingkun Zhang, Yuefei Geng, Yongmei Shen
{"title":"Extracts from petal of the Crocus sativus (saffron) possesses detoxification effects on acetaminophen induced liver injury by inhibiting hepatocyte apoptosis via regulating Nrf2/HO-1 signaling.","authors":"Jin Tan, Fangqiong Li, Xin Zhang, Hongrui Zhu, Jin Liu, Taoqing Wu, Yang Zhang, Dingkun Zhang, Yuefei Geng, Yongmei Shen","doi":"10.1016/j.fitote.2025.106452","DOIUrl":"https://doi.org/10.1016/j.fitote.2025.106452","url":null,"abstract":"<p><p>The purpose of this study was to investigate the detoxification effect of extracts from the petal of Crocus sativus L. (PCSE) on acetaminophen (APAP) induced liver injury in mice and its related mechanisms. LC-MS/MS analysis was used to identify the main components in PCSE, and an APAP-induced acute liver injury model in mice was constructed to evaluate the detoxification effect of PCSE. Liver tissue H&E staining, liver function indexes including ALT and AST, pro-inflammatory cytokine including TNF-α and IL-6, as well as hepatic tissue oxidative stress levels were examined. In addition, in vitro APAP induced cell was also prepared, apoptosis levels were detected by AO/EB staining, ROS fluorescence intensity was analyzed as well as the expression levels of apoptosis-related proteins and Nrf2/HO-1 pathway-related proteins were detected by western blot, to investigate the mechanism of PCSE's action in ameliorating liver injury. The results showed that PCSE can improve the survival rate of APAP induced mice, decrease ALT, AST, TNF-α and IL-6 levels, and ameliorate the liver injury induced by APAP. Furthermore, the mechanism research suggested PCSE attenuated oxidative stress and apoptosis in APAP-induced liver cells, as well as activated the Nrf2/HO-1 signaling. In summary, PCSE possesses potential detoxification effects on APAP induced liver injury by inhibiting hepatocyte apoptosis via regulating Nrf2/HO-1 signaling, which provides more possibilities for the drug selection for the treatment of liver injury in clinical practice.</p>","PeriodicalId":12147,"journal":{"name":"Fitoterapia","volume":" ","pages":"106452"},"PeriodicalIF":2.5,"publicationDate":"2025-02-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143491436","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
FitoterapiaPub Date : 2025-02-21DOI: 10.1016/j.fitote.2025.106449
Wei Zhang , Yangfei Ding , Pengfei Li , Dongliang Jiang , Mengru Wang , Hongsu Zhao , Xiaojie Mi , Jie Meng , Chuanshan Jin , Deling Wu
{"title":"An integrated serum pharmacochemistry, network pharmacology, and metabolomics strategy: A study on raw and wine-processed Paeoniae Radix Alba in promoting blood circulation to alleviate blood stasis","authors":"Wei Zhang , Yangfei Ding , Pengfei Li , Dongliang Jiang , Mengru Wang , Hongsu Zhao , Xiaojie Mi , Jie Meng , Chuanshan Jin , Deling Wu","doi":"10.1016/j.fitote.2025.106449","DOIUrl":"10.1016/j.fitote.2025.106449","url":null,"abstract":"<div><div><em>Paeoniae Radix</em> Alba (PRA) is a traditional Chinese medicine that can be processed with wine to achieve an enhanced effect of promoting blood circulation, thus alleviating blood stasis. However, to date, the changes in the bioactive compounds of PRA before and after wine-processing, as well as the mechanisms of action and the effects on ameliorating blood stasis syndrome (BSS), have not been adequately investigated. Therefore, we systematically elucidated the material basis and mechanisms of action of PRA in the treatment of BSS before and after wine processing by integrating serum pharmacochemistry, network pharmacology, and metabolomics approaches. The wine processing method significantly affected 11 components of PRA, including gallic acid, ethyl gallate, paeoniflorin, and 3-<em>O</em>-methylellagic acid 4-O-β-D-glucopyranoside. Benzoylpaeoniflorin and desbenzoylpaeoniflorin are key serum components of PRA both before and after wine processing. SRC and GAPDH are the central targets through which benzoylpaeoniflorin and desbenzoylpaeoniflorin exert their ameliorative effects on BSS, respectively. The metabolomics results indicated that six metabolic pathways—pyrimidine metabolism, ascorbate and aldarate metabolism, steroid hormone biosynthesis, pentose and glucuronate interconversions, tryptophan metabolism, and lysine degradation—play important roles in the amelioration of BSS by PRA and WPRA. 2’-Deoxycytidine, cortexolone, dihydrocortisol, L-gulonic gamma–lactone, L-uridine, D-ribulose, 4-trimethylammoniobutanoic acid, and indoleacetic acid have been identified as potential biomarkers for the amelioration of BSS by PRA and WPRA. The present study significantly contributes to elucidating the processing mechanism of PRA in “promoting blood circulation to remove blood stasis through wine processing”.</div></div>","PeriodicalId":12147,"journal":{"name":"Fitoterapia","volume":"182 ","pages":"Article 106449"},"PeriodicalIF":2.5,"publicationDate":"2025-02-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143478811","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
FitoterapiaPub Date : 2025-02-21DOI: 10.1016/j.fitote.2025.106447
Yu-Hui Zhu , Wen Chen , Jia-Qi Song , Wen-Jing Bai , Li-Ming Zhan , Ting Liu , Ya-Si Huang , Li-Jun Zhang , Xiang-Qian Kong , Hai-Bing Liao
{"title":"Steroids with prominent cytotoxic activity against non-small cell lung cancer cells from the Strophanthus divaricatus","authors":"Yu-Hui Zhu , Wen Chen , Jia-Qi Song , Wen-Jing Bai , Li-Ming Zhan , Ting Liu , Ya-Si Huang , Li-Jun Zhang , Xiang-Qian Kong , Hai-Bing Liao","doi":"10.1016/j.fitote.2025.106447","DOIUrl":"10.1016/j.fitote.2025.106447","url":null,"abstract":"<div><div>Four previously undescribed steroids, named sarmutogenin diginoside, sarmutogenin oleandroside, 16-hydroxy-17<em>β</em>H sarmutogenin digitaloside and 12-dehydroxy sarmutogenin diginoside (<strong>1</strong>–<strong>4</strong>), along with eight known ones (<strong>5</strong>–<strong>12</strong>) were isolated from the stems and leaves of <em>Strophanthus divaricatus</em>. The chemical structures of the new compounds including their absolute configurations, were characterized by extensive spectroscopic methods, electronic circular dichroism (ECD), X-ray diffraction, as well as comparison with literature data. Most of the isolated compounds demonstrated superior antiproliferative activities against A549 non-small cell lung cancer (NSCLC) cells compared to cisplatin, a first-line treatment regimen for NSCLC. Among these, compounds <strong>2</strong> and <strong>12</strong> can potently inhibited the growth of a panel of NSCLC cells by inducing apoptosis and G2/M cell cycle arrest.</div></div>","PeriodicalId":12147,"journal":{"name":"Fitoterapia","volume":"182 ","pages":"Article 106447"},"PeriodicalIF":2.5,"publicationDate":"2025-02-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143482566","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
FitoterapiaPub Date : 2025-02-18DOI: 10.1016/j.fitote.2025.106407
Jie An , Tao Lin , Xiaojing Guo , Zhenzhen Cao , Qibin Lu
{"title":"Regulation of the EGFR/PI3K/AKT signaling cascade using the Shengui Yangrong Decoction improves ovulation dysfunction and insulin resistance in polycystic ovary syndrome","authors":"Jie An , Tao Lin , Xiaojing Guo , Zhenzhen Cao , Qibin Lu","doi":"10.1016/j.fitote.2025.106407","DOIUrl":"10.1016/j.fitote.2025.106407","url":null,"abstract":"<div><div>Shengui Yangrong Decoction (SGYR) is a traditional Chinese herbal prescription that has been used for the treatment of polycystic ovary syndrome (PCOS). However, there is a consensus on the clinical efficacy of SGYR in treating PCOS, yet the underlying pharmacological mechanisms remain unclear.This study aim to investigate the effects of SGYR on insulin resistance in rats with PCOS and its modulation of follicular development through the epidermal growth factor receptor (EGFR)/PI3K/AKT signaling cascade by integrating metabolomics and network pharmacology and in vivo and in vitro experimental validation.Ultra-performance liquid chromatography-quadrupole time-of-flight mass spectrometry, network pharmacology, and molecular docking, were used to identify key components of SGYR and predict its potential targets. Subcutaneous dehydroepiandrosterone injections and a fat-rich diet were used to create a rat model for PCOS. This was followed by the in vitro growth of human granulosa cells and subsequent treatment with dihydrotestosterone and the epidermal growth factor (EGF). Subsequently, the recovery mechanism of SGYR was analyzed using an enzyme-linked immunosorbent assay, hematoxylin and eosin staining, immunofluorescence, and western blot assays.A total of 112 compounds were identified in SGYR, and 147 potential PCOS targets were found. The core targets were screened using a cluster analysis, and seven gene clusters and five core genes were identified. The core genes included ERBB2, SDHB, EGFR, IL6ST, and PIK3CD, and the EGFR/PI3K/AKT signaling cascade was investigated in depth based on component-target-pathway screening and in conjunction with literature studies. Molecular docking confirmed that the EGF receptor had good binding activity with these compounds. In vivo and in vitro experiments confirmed that SGYR effectively regulated sex hormone levels, improved insulin resistance, attenuated pathological changes in rat ovaries, and verified the localization and expression of EGFR, ERBB2, IGF-1, follicle-stimulating hormone receptor, and luteinizing hormone/chorionic gonadotropin receptor in the ovaries. The complex mechanism of SGYR in treating PCOS by inhibiting the EGFR/PI3K/AKT signaling cascade was revealed.</div></div>","PeriodicalId":12147,"journal":{"name":"Fitoterapia","volume":"182 ","pages":"Article 106407"},"PeriodicalIF":2.5,"publicationDate":"2025-02-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143467457","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
FitoterapiaPub Date : 2025-02-18DOI: 10.1016/j.fitote.2025.106446
Junaid A. Magray, Bilal A. Wani, Aijaz H. Ganie, Roof Ul Qadir, Hanan Javid, Irshad A. Nawchoo
{"title":"From folklore to pharmacology: A comprehensive review of Phytolacca acinosa Roxb. A multipurpose medicinal herb","authors":"Junaid A. Magray, Bilal A. Wani, Aijaz H. Ganie, Roof Ul Qadir, Hanan Javid, Irshad A. Nawchoo","doi":"10.1016/j.fitote.2025.106446","DOIUrl":"10.1016/j.fitote.2025.106446","url":null,"abstract":"<div><div><em>Phytolacca acinosa</em> Roxb. is a valuable multipurpose medicinal herb used in traditional Chinese and other Asian folklore medicine systems to treat numerous diseases like eye disorders, body aches, swelling, edema, and sores. However, no comprehensive review has yet synthesized the diverse scientific studies on <em>P. acinosa</em>. To address this gap, this study compiles a global review by gathering scattered information on the taxonomy, ethnomedicine, pharmacology, phytochemistry, <em>in vitro</em> propagation, and toxicology of <em>P. acinosa</em> and explore the avenues for future research. The data about <em>P. acinosa</em> was gathered through internet search using relevant keywords in online databases like Google Scholar, Scopus, Web of Science, PubMed, Science Direct, CNKI, ResearchGate, and Wiley Online Library. Moreover, books offering comprehensive reviews of relevant literature were consulted for reference. The formulae and chemical structures of compounds were validated through the PubChem database and ChemDraw Ultra 11.0 was used to draw these structures. This review highlights the extensive ethnomedicinal properties of <em>P. acinosa</em>, which has been used in traditional medicine for centuries. Phytochemical analyses have identified a wide range of secondary metabolites, including phenolics, tannins, flavonoids, saponins, flavones, triterpenoids, polysaccharides, and glycosides. The literature review shows that <em>P. acinosa</em> has significant pharmacological effects, such as antimicrobial, anti-tumor, antioxidant, antiviral, anti-inflammatory, toxicological, and molluscicidal properties. Pharmacological investigations have partially validated its traditional and indigenous uses. However, despite its high therapeutic potential, several studies have reported the toxic effects on living organisms. This review underscores the need for more ethnopharmacological and toxicological investigations to ensure the safe medicinal use of <em>P. acinosa</em>. Furthermore, the review highlights the significant potential of <em>P. acinosa</em> for future drug discovery and development, positioning it as a promising plant for further commercial exploitation in the pharmaceutical industry.</div></div>","PeriodicalId":12147,"journal":{"name":"Fitoterapia","volume":"182 ","pages":"Article 106446"},"PeriodicalIF":2.5,"publicationDate":"2025-02-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143467454","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
FitoterapiaPub Date : 2025-02-17DOI: 10.1016/j.fitote.2025.106448
Gaoshan Zhang, Rong Zuo, Xiaoju Lin, Jiamin Wang, Changfu Wang
{"title":"Compounds from the aerial parts of Vernonia cinerea with anti-inflammatory activity","authors":"Gaoshan Zhang, Rong Zuo, Xiaoju Lin, Jiamin Wang, Changfu Wang","doi":"10.1016/j.fitote.2025.106448","DOIUrl":"10.1016/j.fitote.2025.106448","url":null,"abstract":"<div><div>Two novel compounds Yexiangniuside A (<strong>1</strong>) and B (<strong>2</strong>) along with six known sesquiterpene lactones <strong>3</strong>–<strong>8</strong> were isolated from the aerial parts of <em>Vernonia cinerea</em>. The structures of the isolated compounds were conclusively determined through extensive 1D and 2D NMR spectral analyses. The absolute configurations of <strong>1</strong> and <strong>2</strong> were proposed based on computational ECD spectrum predictions, and their molecular formulas were determined using high-resolution mass spectrometry (HR-ESI-MS). Subsequently, the anti-inflammatory activities of compounds <strong>1</strong>–<strong>8</strong> were evaluated in a lipopolysaccharide (LPS)-induced RAW 264.7 cells inflammatory model. The results demonstrated that compounds <strong>1</strong>–<strong>5</strong> significantly inhibited the activity of LPS-stimulated inflammatory factors (NO, TNF-α, IL-6, and IL-10) at concentrations ranging from 2.5 to 20 μM. These findings confirmed that compounds <strong>1</strong>–<strong>5</strong> are the basis for the anti-inflammatory activity of <em>Vernonia cinerea</em>.</div></div>","PeriodicalId":12147,"journal":{"name":"Fitoterapia","volume":"182 ","pages":"Article 106448"},"PeriodicalIF":2.5,"publicationDate":"2025-02-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143454674","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Metabolomic study of Polygonum posumbu Buch. Ham. Ex D. Don integrating with anti-diabetic potential - a mechanistic approach","authors":"Bhaskar Das , Ojit Singh Keithellakpam , Tonjam Bidyasana Chanu , Neeta Pathaw , Shweta Rai , Oinam Shajan Singh , Satheesh Kumar Nanjappan , Ahongjao Soibam , Nanaocha Sharma , Pardeep Kumar Bhardwaj , Pulok Kumar Mukherjee","doi":"10.1016/j.fitote.2025.106440","DOIUrl":"10.1016/j.fitote.2025.106440","url":null,"abstract":"<div><div>The present investigation aimed to evaluate the anti-diabetic effect of the well-known food plant <em>Polygonum posumbu</em> along with the mechanism of combining its in-vitro, in-vivo effects and UHPLC-QTOF-MS based phytochemical profiling linked with the network pharmacology.</div><div>In-vitro anti-diabetic potential of the extract was determined by testing against α-amylase and α-glucosidase enzymes. The in-vivo anti-diabetic effect of the extract was investigated in STZ-induced diabetic mice. Tissue and blood samples were taken for the assessment of tissue antioxidant capacity, biochemical markers and HbAc1 level estimation. Pancreas was subjected to histopathology examination. The anti-diabetic mechanism was further explored using UHPLC-QTOF-MS based metabolomic analysis combined with network pharmacology.</div><div>The in-vitro findings showed that the extract has more selectivity towards α-amylase as compared to α-glucosidase. Administration of extract found to stimulate glucose utilization in OGTT study. Extract treated group also showed significant reduction in blood glucose level on 14th day. HbA1c, AST/GOT, ALP, creatinine, and urea level were also normalized in extract treated group. This is further evident by histopathology observation of pancreatic islets cells morphology. Moreover UHPLC-QTOF-MS based metabolomic study combined with network pharmacology analysis identified EGFR, SRC, IGF1R, MET, MMP9, ESR1, KDR, MMP2, ESR2, and SMAD3 as key targets for showing anti-diabetic activity.</div><div>The findings integrating the phytochemical and therapeutic potential through the in-vitro, in-vivo and network pharmacology analysis of <em>P. posumbu</em> extract against diabetes suggested that the herb could be a good source for further development of functional food for the management of diabetic complications.</div></div>","PeriodicalId":12147,"journal":{"name":"Fitoterapia","volume":"182 ","pages":"Article 106440"},"PeriodicalIF":2.5,"publicationDate":"2025-02-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143425325","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
FitoterapiaPub Date : 2025-02-13DOI: 10.1016/j.fitote.2025.106432
Li Zhang , Hui Wu , Xiaoyuan Li , Xiu Zhang , Hua Li , Huaqiao Tang , Daxuan Tang , Shijing Du , Ya’’ou Liu , Yangfan Tang , Xiaoming Bao , Guoqiang Cheng
{"title":"Screening bioactive compounds from Qianghuo (Notopterygium incisum) volatile oil via COX-2 magnetic ligand fishing","authors":"Li Zhang , Hui Wu , Xiaoyuan Li , Xiu Zhang , Hua Li , Huaqiao Tang , Daxuan Tang , Shijing Du , Ya’’ou Liu , Yangfan Tang , Xiaoming Bao , Guoqiang Cheng","doi":"10.1016/j.fitote.2025.106432","DOIUrl":"10.1016/j.fitote.2025.106432","url":null,"abstract":"<div><div>Qianghuo (the rhizomes and radixes of <em>Notopterygium incisum</em> Ting ex H.T. chang) is a traditional Chinese medicine, and widely used as an anti-inflammatory, anodyne, antifebrile agent. Qianghuo volatile oil also exhibits the same properties, and the effects are probably related to the inhibition of cyclooxygenase (COX), but its bioactive components are not clear yet. To figure out the bioactive components of Qianghuo volatile oil target to cyclooxygenase-2 (COX-2), a ligand fishing method using immobilized COX-2 magnetic beads (COX-2-MB<sub>S</sub>) and gas chromatography–mass spectrometry (GC–MS) were developed to identify the compounds that act on COX-2. Nine ligands, including 3-carene, β-caryophyllene, eucalyptol, α-terpinene, Limonene, δ-terpinene, α-pinene, β-pinene and γ-terpinene, were specifically captured by COX-2-MB<sub>S</sub>. Among them, 3-carene, β-caryophyllene, and eucalyptol in Qianghuo volatile oil were isolated and confirmed by <em>in vitro</em> inhibition and <em>in vivo</em> anti-inflammatory activity assays as selective inhibitor against COX-2. The IC<sub>50</sub> values were 13.5, 10.1, and 7.6 μM, respectively. Compared with the model, 3-carene, β-caryophyllene, and eucalyptol considerably reduced ear swelling and paw edema. Moreover, 3-carene and eucalyptol significantly decreased the changes of COX-2 expression in RAW264.7 cells activated by LPS. Our study validated that the developed ligand-fishing method using COX-2-MBs coupled with GC–MS can be applied to recognize COX-2 inhibitors in Qianghuo volatile oil. <em>In vitro/vivo</em> assay showed 3-carene and eucalyptol in Qianghuo volatile oil had strong inhibition against COX-2. This study may provide novel methods for discovering active components for volatile oil–based drug development or aromatherapy.</div></div>","PeriodicalId":12147,"journal":{"name":"Fitoterapia","volume":"182 ","pages":"Article 106432"},"PeriodicalIF":2.5,"publicationDate":"2025-02-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143425335","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
FitoterapiaPub Date : 2025-02-13DOI: 10.1016/j.fitote.2025.106444
Jun Gao, Yuan Ding, Qiong Gu
{"title":"Chemical constituents and their anti-ferroptosis activities of Ajuga bracteosa","authors":"Jun Gao, Yuan Ding, Qiong Gu","doi":"10.1016/j.fitote.2025.106444","DOIUrl":"10.1016/j.fitote.2025.106444","url":null,"abstract":"<div><div>Two new abietane diterpenoids (<strong>1</strong> and <strong>2</strong>), along with twelve known compounds (<strong>3</strong>–<strong>14</strong>), were isolated from the whole plants of <em>Ajuga bracteosa</em>. Their structures were elucidated through a combination of spectroscopic analyses, including NMR and ECD calculations. All isolates were evaluated for their inhibitory effects on RSL3-induced ferroptosis in HT22 cells. Notably, all abietane diterpenoids (<strong>1</strong>–<strong>7</strong>) demonstrated moderate to potent anti-ferroptosis activities. Especially, compound <strong>5</strong> exhibited the most potent ferroptosis inhibition with an EC<sub>50</sub> of 0.08 μM. Ferroptosis inhibitors hold promising therapeutic potential for neurodegenerative diseases and ischemia/reperfusion injury. This study demonstrates that the abietane-type diterpenoids of <em>A. bracteosa</em> exhibit significant neuroprotective effects against RSL3-induced ferroptosis in HT22 cells.</div></div>","PeriodicalId":12147,"journal":{"name":"Fitoterapia","volume":"182 ","pages":"Article 106444"},"PeriodicalIF":2.5,"publicationDate":"2025-02-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143419733","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}