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2 School of Pharmacy, Key Laboratory of Ethnomedicine, Minzu University of China, Beijing 100081, China, correspAuthors=null, 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=1322631306710724949, articleId=1322631306471649620, tenantId=1146029695717560320, journalId=1302319053441957962, language=CN, title=多裂骆驼蓬中乙酰胆碱酯酶抑制剂的靶向筛选及其抑制作用机制, columnId=1304140187169214944, journalTitle=中草药, columnName=化学成分, runingTitle=null, highlight=null, articleAbstract=目的 采用亲和超滤-液质联用技术（affinity ultra-filtration-liquid chromatography-mass spectrometry，AUF-LC-MS）靶向筛选特色药材多裂骆驼蓬中的乙酰胆碱酯酶（acetylcholinesterase，AChE）抑制剂，并探究其抑制机制。方法 采用Ellman法评价多裂骆驼蓬不同极性部位提取物的AChE抑制活性，采用AUF-LC-MS对活性成分精准筛选和鉴定。利用酶抑制动力学、分子对接和分子动力学模拟探究活性成分对AChE抑制作用机制。结果 从二氯甲烷和正丁醇2个部位共筛选出7个活性成分，包括1个黄酮类和6个生物碱。酶抑制动力学显示7种成分分属于可逆竞争型（蒙花苷）、可逆非竞争型（鸭嘴花碱、鸭嘴花酮碱、哈尔酚）和可逆混合型（脱氧鸭嘴花碱、脱氧鸭嘴花酮碱、去氢骆驼蓬碱）3种抑制类型。分子对接显示，活性成分与AChE有良好的结合性能，不同抑制剂的结合位点和作用力存在差异。分子动力学模拟表明体系已达稳定，在动态结合过程中，抑制剂与AChE存在与分子对接过程中类似的强且稳定的相互作用。结论 相关研究为诠释多裂骆驼蓬防治阿尔茨海默病提供科学依据，为发现高效低毒AChE抑制剂提供新参考。, authors=郭炎峰¹, 付小珊¹, 李霄², 黄丹蓉², 赵思同¹, 张爱芹¹, 申刚义², authorsList=郭炎峰, 付小珊, 李霄, 黄丹蓉, 赵思同, 张爱芹, 申刚义, authorCompany=1 中央民族大学生命与环境科学学院, 北京 100081;
2 中央民族大学药学院 民族医药教育部重点实验室, 北京 100081, correspAuthors=张爱芹, authorNote=郭炎峰: 郭炎峰（2004—），本科生，从事天然产物开发。Tel:(010)68932241 E-mail:23011930@muc.edu.cn, correspAuthorsNote=null, copyrightStatement=null, copyrightOwner=null, extLink=null, articleAbsUrl=null, sourceXml=null, magXml=null, pdfUrl=null, pdf=8telGo0WzIdUb3fj41MpEw==, pdfFileSize=1579679, 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=国家自然科学基金项目 (82374161); 中央高校基本科研业务费-中央民族大学交叉学科研究专项 (2024JCYJ09); 北京市级大学生科学研究与创业行动计划项目 (BEIJ2024110151))}, authors=null, keywords=[Keyword(id=1322634669179384246, tenantId=1146029695717560320, journalId=1302319053441957962, articleId=1322631306471649620, language=CN, orderNo=1, keyword=阿尔茨海默病), Keyword(id=1322634669250687415, tenantId=1146029695717560320, journalId=1302319053441957962, articleId=1322631306471649620, language=CN, orderNo=2, keyword=乙酰胆碱酯酶抑制剂), Keyword(id=1322634669301019064, tenantId=1146029695717560320, journalId=1302319053441957962, articleId=1322631306471649620, language=CN, orderNo=3, keyword=多裂骆驼蓬), Keyword(id=1322634669363933625, tenantId=1146029695717560320, journalId=1302319053441957962, articleId=1322631306471649620, language=CN, orderNo=4, keyword=亲和超滤-液质联用), Keyword(id=1322634669443625402, tenantId=1146029695717560320, journalId=1302319053441957962, articleId=1322631306471649620, language=CN, orderNo=5, keyword=抑制机制), Keyword(id=1322634669519122875, tenantId=1146029695717560320, journalId=1302319053441957962, articleId=1322631306471649620, language=CN, orderNo=6, keyword=蒙花苷), Keyword(id=1322634671201038782, tenantId=1146029695717560320, journalId=1302319053441957962, articleId=1322631306471649620, language=CN, orderNo=7, keyword=鸭嘴花碱), Keyword(id=1322634671599497663, tenantId=1146029695717560320, journalId=1302319053441957962, articleId=1322631306471649620, language=EN, orderNo=1, keyword=Alzheimer’s disease), Keyword(id=1322634671960207808, tenantId=1146029695717560320, journalId=1302319053441957962, articleId=1322631306471649620, language=EN, orderNo=2, keyword=acetylcholinesterase inhibitors), Keyword(id=1322634672320917953, tenantId=1146029695717560320, journalId=1302319053441957962, articleId=1322631306471649620, language=EN, orderNo=3, keyword=Peganum multisectum (Maxim.) 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