Article(id=1292126507967738101, tenantId=1146029695717560320, journalId=1246415772164075586, issueId=1292126409196064779, articleNumber=null, orderNo=null, doi=10.13699/j.cnki.1001-6821.2026.02.016, pmid=null, cstr=null, oa=null, hot=null, price=null, onlineType=0, articleFormat=0, articleType=null, articleTypeStr=null, receivedDate=1765987200000, receivedDateStr=2025-12-18, revisedDate=null, revisedDateStr=null, acceptedDate=null, acceptedDateStr=null, onlineDate=1785996566049, onlineDateStr=2026-08-06, pubDate=1769529600000, pubDateStr=2026-01-28, doiRegisterDate=null, doiRegisterDateStr=null, onlineIssueDate=1785996566049, onlineIssueDateStr=2026-08-06, onlineJustAcceptDate=null, onlineJustAcceptDateStr=null, onlineFirstDate=null, onlineFirstDateStr=null, sourceXml=null, magXml=null, createTime=1785996566049, creator=13701087609, updateTime=1785996566049, updator=13701087609, issue=Issue{id=1292126409196064779, tenantId=1146029695717560320, journalId=1246415772164075586, year='2026', volume='42', issue='2', pageStart='151', pageEnd='300', issueExtLink='null', onlineDate='null', pubDate='1769529600000', pubDateStr='2026-01-28', beforeIssueId=null, nextIssueId=null, price=null, status=1, issueComplete=1, articleOrder=1, issueType=-1, specialIssue=null, createTime=1785996542500, creator='13701087609', updateTime=1786014671444, updator='13701087609', preIssue=null, nextIssue=null, articleTotal=null, ext={EN=IssueExt(id=1292202447569707674, tenantId=1146029695717560320, journalId=1246415772164075586, issueId=1292126409196064779, language=EN, specialIssueTitle=, coverIllustrator=null, specialIssueEditor=, specialIssueAbout=), CN=IssueExt(id=1292202447569707675, tenantId=1146029695717560320, journalId=1246415772164075586, issueId=1292126409196064779, language=CN, specialIssueTitle=, coverIllustrator=null, specialIssueEditor=, specialIssueAbout=)}, issueFiles=null, downloadFileDto=null}, startPage=247, endPage=253, ext={EN=ArticleExt(id=1292126508160676086, articleId=1292126507967738101, tenantId=1146029695717560320, journalId=1246415772164075586, language=EN, title=Exploring the mechanism of Penthorum chinense Pursh in treating primary sclerosing cholangitis based on blood-absorbing components and computational pharmacology, columnId=1246531412438966969, journalTitle=Chinese Journal of Clinical Pharmacology, columnName=Reader’s Field, runingTitle=null, highlight=null, articleAbstract=
Objective To analyze the blood-absorbing components of Penthorum chinense Pursh using high-resolution ultra-performance liquid chromatography-tandem mass spectrometry (UPLC-MS/MS), and to systematically investigate the material basis and mechanism of its therapeutic effect on primary sclerosing cholangitis (PSC) by integrating network pharmacology and molecular docking.
Methods High-resolution UPLC-MS/MS was employed to identify the blood-absorbing components of Penthorum chinense Pursh. Potential target proteins of these components were predicted using the Swiss Target Prediction database. Disease-related targets of PSC were retrieved from the Gene Expression Omnibus (GEO) database using the keyword "Primary sclerosing cholangitis." The intersection of component targets and disease targets was identified to obtain common targets. A protein-protein interaction (PPI) network was constructed using the Search Tool for the Retrieval of Interacting Genes/Proteins (STRING) database to screen for core targets. Gene Ontology (GO) functional enrichment analysis and Kyoto Encyclopedia of Genes and Genomes (KEGG) pathway enrichment analysis were performed using the Metascape platform. Finally, molecular docking validation of key components with core targets was conducted using AutoDock Vina software.
Results A total of 174 blood-absorbing components were identified from Penthorum chinense Pursh, corresponding to 661 predicted component targets. 2 878 PSC-related disease targets were obtained, and 105 intersection targets were screened. PPI network analysis revealed core targets including RAC-alpha serine/threonine-protein kinase (AKT1), heat shock protein HSP 90-alpha (HSP90AA1), C-X-C chemokine receptor type 4 (CXCR4), tyrosine-protein kinase Lyn (LYN), and androgen receptor (AR). GO analysis indicated that Penthorum chinense Pursh may participate in inflammatory response and other processes by regulating molecular functions such as phosphotransferase activity on membrane rafts. KEGG enrichment analysis demonstrated that the intersecting targets were significantly enriched in pathways associated with the pathological mechanisms of PSC, including T helper 17 (Th17) cell differentiation and bile secretion. Molecular docking results demonstrated favorable binding stability between key components and core targets.
Conclusion This study identified the blood-absorbing components of Penthorum chinense Pursh and preliminarily revealed its potential mechanism in treating PSC through a "multi component, multi target, multi pathway" synergistic approach, providing a scientific basis for the clinical application of Penthorum chinense Pursh in PSC treatment.
, authors=A-hua KU, Yu-xin LI, Xiao-ning LI, Rong JI, Zi-jun ZHANG, Bin-bin SONG, authorsList=A-hua KU, Yu-xin LI, Xiao-ning LI, Rong JI, Zi-jun ZHANG, Bin-bin SONG, authorCompany=null, correspAuthors=Bin-bin SONG, authorNote=null, correspAuthorsNote=null, copyrightStatement=null, copyrightOwner=null, extLink=null, articleAbsUrl=null, sourceXml=null, magXml=null, pdfUrl=null, pdf=null, pdfFileSize=null, pdfExtLink=null, richHtmlUrl=null, mobilePdfUrl=null, reviewReport=null, pdfFirstPage=null, abstractGraph=null, abstractGraphContent=null, abstractVideo=null, citation=null, cebUrl=null, magXmlContent=null, mapNumber=null, fund=null), CN=ArticleExt(id=1292126508395557111, articleId=1292126507967738101, tenantId=1146029695717560320, journalId=1246415772164075586, language=CN, title=基于入血成分与计算药理学探讨赶黄草治疗原发性硬化性胆管炎的作用机制, columnId=1246531414020219657, journalTitle=中国临床药理学杂志, columnName=读者园地, runingTitle=null, highlight=null, articleAbstract=
目的 采用高分辨超高效液相色谱串联质谱（UPLC-MS/MS）技术分析赶黄草入血成分，结合网络药理学及分子对接，系统解析其治疗原发性硬化性胆管炎（PSC）的物质基础及作用机制。
方法 利用高分辨UPLC-MS/MS分析赶黄草入血成分，通过数据库Swiss Target Prediction获取成分靶点；通过GEO数据库以“Primary sclerosing cholangitis”为关键词，获取PSC相关疾病靶点，并筛选成分靶点与疾病靶点的交集靶点；利用STRING数据库构建蛋白-蛋白互用（PPI）网络，筛选核心靶点；通过Metascape平台进行基因本体（GO）和京都基因与基因组百科全书（KEGG）富集分析；最后通过AutoDock Vina软件进行分子对接验证。
结果 共鉴定出赶黄草入血成分174个，成分靶点661个，疾病相关靶点2 878个，交集靶点105个；PPI网络分析显示核心靶点为RAC-α丝氨酸/苏氨酸蛋白激酶（AKT1）、热休克蛋白HSP90-α（HSP90AA1）、CXC趋化因子受体4（CXCR4）、酪氨酸蛋白激酶Lyn（LYN）以及雄激素受体（AR）等；GO分析表明，赶黄草可能通过调节膜筏上的磷酸转移酶活性等分子功能参与炎症反应等过程；KEGG富集分析显示，交集靶点显著富集于辅助性T细胞17（Th17）细胞分化及胆汁分泌等与PSC病理机制有关的通路；分子对接结果显示关键成分与核心靶点具有良好的结合稳定性。
结论 本研究分析了赶黄草入血成分，并揭示了其治疗PSC的“多成分、多靶点、多通路”机制，为赶黄草临床治疗PSC提供科学依据。
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苦阿华（2000-），男，硕士研究生，主要从事肝病药理方面的研究
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