Chinese Journal of Analytical Chemistry最新文献

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Pharmacological mechanisms and pharmacokinetic analysis of anti-tumor components in Chinese herbal medicine 中草药抗肿瘤成分的药理机制及药动学分析
IF 1.3 4区 化学
Chinese Journal of Analytical Chemistry Pub Date : 2025-09-01 Epub Date: 2025-07-06 DOI: 10.1016/j.cjac.2025.100590
Jiayu ZOU , Yunxin ZHU , Ning YANG , Delin XU , Juanjuan ZHAO
{"title":"Pharmacological mechanisms and pharmacokinetic analysis of anti-tumor components in Chinese herbal medicine","authors":"Jiayu ZOU ,&nbsp;Yunxin ZHU ,&nbsp;Ning YANG ,&nbsp;Delin XU ,&nbsp;Juanjuan ZHAO","doi":"10.1016/j.cjac.2025.100590","DOIUrl":"10.1016/j.cjac.2025.100590","url":null,"abstract":"<div><div>Tumors continue to pose a significant threat to human health and quality of life, underscoring the need for more affordable, safer, and more effective treatment options. In recent years, Chinese herbal medicine (CHM) has garnered significant attention from researchers and the pharmaceutical industry due to its advantages, including multi-target effects, mild adverse reactions, low cost, and abundant resources for tumor treatment. Moreover, the combination of CHM with chemotherapy agents holds promise for overcoming drug resistance and alleviating the adverse effects associated with conventional treatments. This review systematically examines the academic literature documenting the anti-tumor activity of CHM. It summarizes the key medicinal components exhibiting anti-tumor activity in these CHM, elucidates their pharmacological mechanisms and pharmacokinetic characteristics, and provides a critical evaluation of the current challenges and future research directions within this field. The findings may serve as a critical reference for identifying anti-tumor bioactive compounds within CHM and for developing novel anti-tumor agents.</div></div>","PeriodicalId":277,"journal":{"name":"Chinese Journal of Analytical Chemistry","volume":"53 9","pages":"Article 100590"},"PeriodicalIF":1.3,"publicationDate":"2025-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144878169","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Synthesis and characterization of Pd-doped carbon dots (CDP) for the photocatalytic degradation of imidacloprid 光催化降解吡虫啉的掺杂碳点(CDP)合成及表征
IF 1.3 4区 化学
Chinese Journal of Analytical Chemistry Pub Date : 2025-09-01 Epub Date: 2025-06-12 DOI: 10.1016/j.cjac.2025.100576
Rani , Faiz Ali , Mian Muhammad , Zeid A. AlOthman
{"title":"Synthesis and characterization of Pd-doped carbon dots (CDP) for the photocatalytic degradation of imidacloprid","authors":"Rani ,&nbsp;Faiz Ali ,&nbsp;Mian Muhammad ,&nbsp;Zeid A. AlOthman","doi":"10.1016/j.cjac.2025.100576","DOIUrl":"10.1016/j.cjac.2025.100576","url":null,"abstract":"<div><div>An effective photo catalytic method utilizing fluorescent carbon dots (CDP) has been developed for the degradation of imidacloprid. The CDP were synthesized hydrothermally using fructose, palladium, and ethylene diamine and they were characterized via Fourier transform infrared spectroscopy (FTIR), scanning electron microscope (SEM), spectrofluorometer, ultraviolet-visible spectroscopy (UV-Vis), and energy dispersive X-ray spectroscopy (EDX) techniques. The key determinants were optimized and using the optimized conditions. 97 % photocatalytic degradation of imidacloprid was achieved in 40 min at 365 nm using 5.0 mg L<sup>–</sup><sup>1</sup> of imidacloprid at pH 10. The catalyst loading, and the response time were effectively correlated, emphasizing the critical role in improving the degrading efficiency. The pseudo- first order and second order kinetic models were applied to the data showing the best fitting with pseudo-first order kinetic model. The CDP can be used for repeated cycles maintaining its degradation efficiency within reasonable limits. The results highlighted the promising potential of using carbon dots as effective photocatalytic materials which are cost effective and environmentally safe for water remediation.</div></div>","PeriodicalId":277,"journal":{"name":"Chinese Journal of Analytical Chemistry","volume":"53 9","pages":"Article 100576"},"PeriodicalIF":1.3,"publicationDate":"2025-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144738247","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Elucidate molecular mechanisms of 173 compounds for potential breast cancer therapeutics: Insights through integrating network pharmacology, molecular docking and molecular dynamics simulation 通过网络药理学、分子对接和分子动力学模拟,阐明173种潜在乳腺癌治疗药物的分子机制
IF 1.3 4区 化学
Chinese Journal of Analytical Chemistry Pub Date : 2025-09-01 Epub Date: 2025-05-06 DOI: 10.1016/j.cjac.2025.100557
Sanjeevi PANDIYAN , Tiantian RUAN , Zhuheng ZHONG , Min YAO , Li WANG
{"title":"Elucidate molecular mechanisms of 173 compounds for potential breast cancer therapeutics: Insights through integrating network pharmacology, molecular docking and molecular dynamics simulation","authors":"Sanjeevi PANDIYAN ,&nbsp;Tiantian RUAN ,&nbsp;Zhuheng ZHONG ,&nbsp;Min YAO ,&nbsp;Li WANG","doi":"10.1016/j.cjac.2025.100557","DOIUrl":"10.1016/j.cjac.2025.100557","url":null,"abstract":"<div><div>All over the world, breast cancer is one of the most common cancers in women and is identified as the prevalent cause of death. Hence, the urgency of developing novel anti-breast cancer drugs for combating this deadly disease with potential efficiency is associated with current therapeutics. To address this issue, in our present work we collected recently analyzed 173 compounds from the scientific literature as much information as possible during 2021–2024 for the first time to elucidate the underlying molecular mechanisms associated with breast cancer via comprehensive analysis that integrates network pharmacology, molecular docking, molecular dynamics, and Molecular Mechanics with Generalized Born and Surface Area solvation (MM/GBSA). Molecular properties and drug-likeness were screened for obtained compounds to probe into the mechanism of action. The compound-target network, protein-protein interaction (PPI) network, Gene Ontology (GO) functional enrichment, and Kyoto Encyclopedia of Genes and Genomes (KEGG) pathway enrichment analysis were performed with the aim of analyzing molecular mechanisms associated with breast cancer. Afterward, 12 potentially active compounds were carefully identified along with 192 common targets, including 8 pertinent core targets such as PIK3R1, PIK3CB, PIK3CA, PIK3CD, AKT1, AKT2, AKT3, and PTPN11. Molecular docking simulations revealed a robust score between AKT1-Capivasertib, PTPN11-Olaparib, PIK3R1-(1S)-2-(4-phenylmethoxyphenyl)-<em>N-</em>(pyridin-2-ylmethyl)cyclopropan-1-amine, PIK3CA-(1S)-2-(4-phenylmethoxyphenyl)-<em>N-</em>(pyridin-2-ylmethyl)cyclopropan-1-amine, PIK3CB-Capivasertib, AKT2-Ibuprofen Sodium, PIK3CD-Capivasertib and AKT3-<em>N-</em>(2-Hydroxyphenyl)-2-propylpentanamide complexes with strong binding interactions of 9.2353, 9.2016, 8.7742, 7.8234, 7.7083, 7.6387, 7.3778 and 6.6705, respectively. The key findings of outcome are corroborated by molecular dynamics simulation at 300 K for 200 ns to reinforce intermolecular mechanism between pertinent core targets and potential active compounds. In addition, overall free binding energy is calculated for eight complexes employing MM/GBSA, and the results indicate that Capivasertib has energetically favourable binding towards PIK3CD with binding free energy of −41.14 kcal/mol. Finally, the light of these results provides new insights into understanding the mechanism of action, including compounds, targets, potent biological processes, cellular components, molecular functions, and pathways involved that may represent an essential part of current breast cancer therapeutics.</div></div>","PeriodicalId":277,"journal":{"name":"Chinese Journal of Analytical Chemistry","volume":"53 9","pages":"Article 100557"},"PeriodicalIF":1.3,"publicationDate":"2025-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144886813","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Gynostemma pentaphyllum promotes strained skeletal muscle protein regeneration by adjustment of liver and spleen function via PXR-IL-6-SERCA1a 绞股蓝通过PXR-IL-6-SERCA1a调节肝脏和脾脏功能,促进张力骨骼肌蛋白再生
IF 1.3 4区 化学
Chinese Journal of Analytical Chemistry Pub Date : 2025-09-01 Epub Date: 2025-06-21 DOI: 10.1016/j.cjac.2025.100578
Yi Zou , Xingqin Wei , Guangying Wu , Dongmei Li , Houran Cao , Weitao Chen , Lingfeng Zeng , Zhao Chen
{"title":"Gynostemma pentaphyllum promotes strained skeletal muscle protein regeneration by adjustment of liver and spleen function via PXR-IL-6-SERCA1a","authors":"Yi Zou ,&nbsp;Xingqin Wei ,&nbsp;Guangying Wu ,&nbsp;Dongmei Li ,&nbsp;Houran Cao ,&nbsp;Weitao Chen ,&nbsp;Lingfeng Zeng ,&nbsp;Zhao Chen","doi":"10.1016/j.cjac.2025.100578","DOIUrl":"10.1016/j.cjac.2025.100578","url":null,"abstract":"<div><h3>Background</h3><div><em>Gynostemma pentaphyllum</em> (GYP) is a traditional Chinese medicine (TCM) used for strengthening and injure recovery, previous research has revealed that a 50% ethanol extract of GYP markedly influences strained skeletal muscle regeneration. Further research has clarified that GYP took such effect via recovery of liver and spleen, whose function and morphology also damaged when muscle is strained. However, the mechanism and biological basis of GYP’s regeneration effect still needs deeper investigation.</div></div><div><h3>Objective</h3><div>To elucidate the mechanism and biomarkers of GYP regulating the recovery of skeletal muscle proteins, as well as discovery of related targets involved in such process.</div></div><div><h3>Methods</h3><div>A rat blunt skeletal muscle strain model was established for pharmacodynamic evaluation, with administration of GYP extract or reference drug; the serum and tissue (liver, spleen) samples were collection for subsequent investigation of target expression and metabolomics; Serum metabolomics research was carried out to screen differential metabolites related to the skeletal muscle regeneration; Subsequently, the metabolomic results were combined with network pharmacology and results of target expression to clarify the signaling pathway; Then, guided by this, the differential metabolites related to the targets/pathways in organs such as the liver and spleen were determined by UPLC-MS; Eventually, biomarkers characterizing the promotion of protein regeneration in strained skeletal muscle by GYP were found.</div></div><div><h3>Results</h3><div>The serum metabolomic analysis successfully identified 20 differential metabolites associated with its efficacy, and further screened out metabolites like l-tryptophan, DL-glutamic acid, tyrosine, arachidonic acid as significant biomarkers that related to PXR-IL-6-SERCA1a pathway; As the regulatory mechanism of GYP indicated, those markers are recognized as key indicators of the process of strained muscle regeneration, as well as GYP’s therapeutic effect.</div></div><div><h3>Conclusion</h3><div>By restoring the function of those related organs via PXR-IL-6-SERCA1a pathway, internal TCM like GYP has good skeletal muscle recovery effect, which based on its regulation of some metabolites that plays important role in protein synthesis and inflammatory reaction in liver and spleen.</div></div>","PeriodicalId":277,"journal":{"name":"Chinese Journal of Analytical Chemistry","volume":"53 9","pages":"Article 100578"},"PeriodicalIF":1.3,"publicationDate":"2025-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144738246","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Integrative systems biology in insomnia: Bridging traditional Chinese medicine and modern science 失眠的综合系统生物学:中医与现代科学的桥梁
IF 1.3 4区 化学
Chinese Journal of Analytical Chemistry Pub Date : 2025-09-01 Epub Date: 2025-05-21 DOI: 10.1016/j.cjac.2025.100564
Xu Zhang , Shasha Zhang , Shanzhong Tan , Lizhong Guo
{"title":"Integrative systems biology in insomnia: Bridging traditional Chinese medicine and modern science","authors":"Xu Zhang ,&nbsp;Shasha Zhang ,&nbsp;Shanzhong Tan ,&nbsp;Lizhong Guo","doi":"10.1016/j.cjac.2025.100564","DOIUrl":"10.1016/j.cjac.2025.100564","url":null,"abstract":"<div><div>This article is interested in the applications and technological innovations of systems biology to insomnia research within an integrative framework of traditional Chinese medicine (TCM) and modern science. Insomnia, a common sleep disorder, is a significant global health threat and has emerged as an increasing public health concern. Systems biology, based on multi-omics technologies like genomics, proteomics, and metabolomics, enables the explanation of the complex mechanisms of insomnia in an integrative manner. This review considers the possibility of integrating TCM theories with systems biology for identifying new biomarkers and therapeutic targets. The advances such as genome-wide association studies and neurobiological observations are illuminating the pathophysiology of insomnia, which can be integrated with TCM concepts. Network pharmacology and multi-layered regulatory network modeling are highlighted as beneficial in clarifying the pathophysiological mechanisms involved in insomnia. The study emphasizes the importance of personalized medicine and envisions the convergence of TCM and contemporary scientific approaches in the future for better treatment of insomnia.</div></div>","PeriodicalId":277,"journal":{"name":"Chinese Journal of Analytical Chemistry","volume":"53 9","pages":"Article 100564"},"PeriodicalIF":1.3,"publicationDate":"2025-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144886812","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Development of StatMS platform coupled with MS metabolomics identifies altitude-responsive metabolites in Coreopsis tinctoria Nutt․ StatMS平台的开发结合MS代谢组学鉴定了Coreopsis tinctoria Nutt .的海拔响应代谢物
IF 1.2 4区 化学
Chinese Journal of Analytical Chemistry Pub Date : 2025-09-01 Epub Date: 2025-05-29 DOI: 10.1016/j.cjac.2025.100569
Yinyu Chen , Hongji Zeng , Yu Song , Zhengyan Li , Ganghui Chu , Jing Tian , Hongchao Ji
{"title":"Development of StatMS platform coupled with MS metabolomics identifies altitude-responsive metabolites in Coreopsis tinctoria Nutt․","authors":"Yinyu Chen ,&nbsp;Hongji Zeng ,&nbsp;Yu Song ,&nbsp;Zhengyan Li ,&nbsp;Ganghui Chu ,&nbsp;Jing Tian ,&nbsp;Hongchao Ji","doi":"10.1016/j.cjac.2025.100569","DOIUrl":"10.1016/j.cjac.2025.100569","url":null,"abstract":"<div><div>The ‘Kunlun Snow Chrysanthemum’ (<em>Coreopsis tinctoria Nutt.</em>), a medicinal plant native to Xinjiang, China, is valued for its bioactive compounds and therapeutic properties. This study explores the impact of altitude on its metabolic profile using an integrated Liquid Chromatography-Mass Spectrometry (LC-MS) and Gas chromatography-mass spectrometry (GC–MS) metabolomics approach. Samples from four altitudes (∼1231 to ∼3200 m) were analyzed and revealed distinct metabolic variations across samples from different altitudes. To facilitate data analysis, we developed Statistical Metabolomics Suite (StatMS), a Python-based tool that provides preprocessing, statistical analysis, and interactive visualization. By integrating experimental analysis with data processing, this study offers new insights into the environmental influence on <em>C. tinctoria’s</em> metabolic composition, enhancing its potential as a high-value medicinal resource.</div></div>","PeriodicalId":277,"journal":{"name":"Chinese Journal of Analytical Chemistry","volume":"53 9","pages":"Article 100569"},"PeriodicalIF":1.2,"publicationDate":"2025-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144713425","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Exploring the mechanism of Epimedium in diabetes mellitus treatment based on network pharmacology and molecular dynamics simulation 基于网络药理学和分子动力学模拟探讨淫羊藿治疗糖尿病的作用机制
IF 1.2 4区 化学
Chinese Journal of Analytical Chemistry Pub Date : 2025-09-01 Epub Date: 2025-06-10 DOI: 10.1016/j.cjac.2025.100574
Ma Guo-Hua , Xing Xin-Xin , Gao Yuan , He Yu-Fang , Zhao Yu-Wei , Zhao Jian-Hui , Ma Yang , Yin Yu-He , Nan Min-Lun
{"title":"Exploring the mechanism of Epimedium in diabetes mellitus treatment based on network pharmacology and molecular dynamics simulation","authors":"Ma Guo-Hua ,&nbsp;Xing Xin-Xin ,&nbsp;Gao Yuan ,&nbsp;He Yu-Fang ,&nbsp;Zhao Yu-Wei ,&nbsp;Zhao Jian-Hui ,&nbsp;Ma Yang ,&nbsp;Yin Yu-He ,&nbsp;Nan Min-Lun","doi":"10.1016/j.cjac.2025.100574","DOIUrl":"10.1016/j.cjac.2025.100574","url":null,"abstract":"<div><div><em>Epimedium</em> (EP) and its extracts have been shown to be beneficial in the treatment of diabetes mellitus (DM). However, the specific active components and mechanisms whereby they exert their effects remain unclear. This paper will explore the mechanism of action of EP for the treatment of DM using network pharmacology. Traditional Chinese medicines systems pharmacology (TCMSP), Uniprot and Swiss Target Prediction databases were used to obtain compound and target information for EP. GeneCards database was used to obtain DM-related targets, and Cytoscape 3.8.0, Metascape and We Seng Xin platforms were used for network analyses. A total of 23 active components of EP, which are associated with its therapeutic effect in the treatment of DM, were identified by integrating the results of database search. Of the 234 targets, 44 key genes were found to be significantly enriched in the AKT1, TNF, PPARG and STAT3. Icaritin and icariin were identified as the core components affecting DM pathways. Molecular docking and kinetic simulation studies confirmed that the core components effectively bind to the above targets, meanwhile, <em>in vivo</em> and <em>in vitro</em> experiments showed that the core components have better hypoglycemic activity compared with the positive control. In conclusion, the therapeutic effects of EP in DM may be attributed to its bioactive components, such as icaritin and icariin. These components also modulate DM-related pathways, including glutathione metabolism, tryptophan peroxisome-related pathways, and peroxisomes. The present study provides valuable scientific insights into the pharmacological mechanisms underlying the action of EP in DM and highlights the potential of EP as a promising drug.</div></div>","PeriodicalId":277,"journal":{"name":"Chinese Journal of Analytical Chemistry","volume":"53 9","pages":"Article 100574"},"PeriodicalIF":1.2,"publicationDate":"2025-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144703653","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Main active components of Sishen Wan may modulate T cells-related proinflammatory cytokines via alleviating mitochondrial damage caused by oxidative stress in dextran sulphate sodium-induced ulcerative colitis 四神丸的主要活性成分可能通过减轻葡聚糖硫酸钠诱导的溃疡性结肠炎中氧化应激引起的线粒体损伤来调节T细胞相关的促炎细胞因子
IF 1.3 4区 化学
Chinese Journal of Analytical Chemistry Pub Date : 2025-09-01 Epub Date: 2025-05-09 DOI: 10.1016/j.cjac.2025.100562
Ke LI , Weiguang LV , Boning ZHANG , Shengnan HAN , Jing HAN , Yu ZHANG , Wei WANG , Weiyu ZANG , Anqi YANG , Hongjia WANG , Chenggang ZHANG
{"title":"Main active components of Sishen Wan may modulate T cells-related proinflammatory cytokines via alleviating mitochondrial damage caused by oxidative stress in dextran sulphate sodium-induced ulcerative colitis","authors":"Ke LI ,&nbsp;Weiguang LV ,&nbsp;Boning ZHANG ,&nbsp;Shengnan HAN ,&nbsp;Jing HAN ,&nbsp;Yu ZHANG ,&nbsp;Wei WANG ,&nbsp;Weiyu ZANG ,&nbsp;Anqi YANG ,&nbsp;Hongjia WANG ,&nbsp;Chenggang ZHANG","doi":"10.1016/j.cjac.2025.100562","DOIUrl":"10.1016/j.cjac.2025.100562","url":null,"abstract":"<div><h3>Introduction</h3><div>Sishen Wan (SSW), a classical traditional Chinese medicine decoction, is described to treat ulcerative colitis (UC) patients, but the molecular mechanisms of the main active ingredients of SSW on the interaction between mitochondria and T cells are still unclear. This study aimed to determine the main active ingredients of SSW, predict and explore the possible regulatory mechanism of main active ingredients of SSW in modulating mitochondrial function and ameliorating mitochondrial damage, followed by regulating T cell balance during UC development.</div></div><div><h3>Methods</h3><div>Colorimetric test and quantitative real-time polymerase chain reaction (qRT-PCR) were performed to evaluate the efficacy of SSW on inflammatory injuries of UC and preliminarily explore the mechanisms of SSW against oxidative stress. The main active components and their possible ligands were predicted by network pharmacology, molecular docking, dynamic simulation and three-dimensional-quantitative structure activity relationship (3D-QSAR). RNA-seq analysis and western blot (WB) was conduct to discover the impact of SSW on genetic profile changes, and discover and predict the potentials of anti-mitochondrial damage and proinflammatory T-cells of the selected bioactive compounds.</div></div><div><h3>Results</h3><div>SSW effectively ameliorated the colonic injuries and alleviated the oxidative stress in the dextran sulphate sodium (DSS)-induced UC. Angelicin, corylifolinin, psoralen and rutaecarpine, derived from SSW, were identified as the main components of SSW, and might interact with CYP2C9 and CYP1A1 due to the lowest binding energy. SSW alleviated UC via regulating genes related to mitochondrial function and T cell responses based on RNA-seq data. Cytc-related targets and T cell-associated proinflammatory cytokines were downregulated, while mtDNA repairing-related targets were upregulated with SSW intervention. Moreover, the caspase, inflammasome and Th1 and Th17 polarizing-related genes are positively correlated with cytochrome C oxidase (COX), caspase and inflammasome-associated genes, respectively.</div></div><div><h3>Conclusion</h3><div>Taken together, this study not only identifies the main bioactive ingredients of SSW and their possible ligands, but also provides angelicin, corylifolinin, psoralen and rutaecarpine may alleviate oxidative stress and mitochondrial damage, followed by modulating Th1 and Th17-related proinflammatory cytokines.</div></div>","PeriodicalId":277,"journal":{"name":"Chinese Journal of Analytical Chemistry","volume":"53 9","pages":"Article 100562"},"PeriodicalIF":1.3,"publicationDate":"2025-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144895144","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Active compounds and target genes investigation for Tongxie-Yaofang treatment in diarrhea predominant-irritable bowel syndrome based on network pharmacology study 基于网络药理学研究的通泻要方治疗腹泻为主-肠易激综合征的活性化合物及靶基因研究
IF 1.3 4区 化学
Chinese Journal of Analytical Chemistry Pub Date : 2025-09-01 Epub Date: 2025-06-23 DOI: 10.1016/j.cjac.2025.100579
Xiaowen Yu , Shupei Ma , Dongliang Zhang , Xuan Chen , Jun Ouyang , Biao Xi , Dongyu Xie , Yaxiang Shi
{"title":"Active compounds and target genes investigation for Tongxie-Yaofang treatment in diarrhea predominant-irritable bowel syndrome based on network pharmacology study","authors":"Xiaowen Yu ,&nbsp;Shupei Ma ,&nbsp;Dongliang Zhang ,&nbsp;Xuan Chen ,&nbsp;Jun Ouyang ,&nbsp;Biao Xi ,&nbsp;Dongyu Xie ,&nbsp;Yaxiang Shi","doi":"10.1016/j.cjac.2025.100579","DOIUrl":"10.1016/j.cjac.2025.100579","url":null,"abstract":"<div><h3>Purpose</h3><div>We attempted to determine the effectiveness and dissected the detailed molecular mechanism of Tongxie-Yaofang (TXYF) in the treatment of diarrhea predominant-IBS (IBS-D) based on network pharmacology.</div></div><div><h3>Materials and methods</h3><div>Between February 2019 and December 2020, 28 IBS-D patients were included and given TXYF formula granules twice a day for consecutive 8 weeks. The efficacy of TXYF was evaluated based on IBS Symptom Severity Score (IBS-SSS), IBS-quality of life scale (QOL) and TCM syndrome score before and after 4 week, 8 week treatment. The active components of TXYF were screened and filtered by Traditional Chinese Medicine Systems Pharmacology and Traditional Chinese Medicine Integrated Database, followed by the target protein prediction. The IBD-related genes were retrieved by Comparative Toxicogenomics Database. The key proteins were intersected, and molecule docking were conducted. Finally, a quantitative real-time polymerase chain reaction (qRT-PCR) analysis based on samples obtained from IBS rat model was performed to validate the results in current bioinformatics analysis.</div></div><div><h3>Results</h3><div>TXYF treatment significantly improved IBS-SSS, IBS-QOL and TCM syndrome score after 4 and 8 week post treatment. A total of 23 active compounds, 3 herbs, and 29 key target proteins were associated with TXYF. Key target proteins, such as AKT1, PPARG, and NFKB1, were mainly enriched in pathways such as non-alcoholic fatty liver disease. The main active ingredients in TXYF for IBS-D were catechin, <em>β</em>-sitosterol, <em>β</em>-eudesmol, and Pyrethrin Ii by binding to CNR1, ESR1, TGFB1, and TNFSF11. Finally, the qRT-PCR analysis showed that hub gene TGFB2 in pharmacological network were significantly promoted in TXYF treatment group when compared with IBS blank control group, which further validated the results of our bioinformatics analysis.</div></div><div><h3>Conclusions</h3><div>TXYF may be effective in IBS-D treatment by targeting CNR1, ESR1, TGFB1, and TNFSF11. Our data may provide new clues for understanding the molecular mechanism of TXYF in IBS-D treatment.</div></div>","PeriodicalId":277,"journal":{"name":"Chinese Journal of Analytical Chemistry","volume":"53 9","pages":"Article 100579"},"PeriodicalIF":1.3,"publicationDate":"2025-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144749194","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Simultaneous determination of five active compounds in compound Salvia Miltiorrhiza gel via multi-channel HPLC detection 多通道高效液相色谱法同时测定复方丹参凝胶中5种有效成分
IF 1.3 4区 化学
Chinese Journal of Analytical Chemistry Pub Date : 2025-09-01 Epub Date: 2025-06-10 DOI: 10.1016/j.cjac.2025.100577
Hailong Li , Zheng Wang , Qingming Zhang , Wanting Wang , Peipei Han , Haoting Yu , Jiahui Ma , Xingde Zhang , Hui Xie , Hongli Yu
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