135研究探讨《食品工业》2023年第44卷第2期基于网络药理学和分子对接探讨复方黄精大蜜丸对抗衰老的机制陈高策1#，吴鑫雨1#，陈永2，宋子乐1，吴超1，梁泽华1*1.浙江中医药大学药学院（杭州311499）；2.浙江民泰医药有限公司（杭州311200）摘要运用网络药理学和分子对接技术探讨复方黄精大蜜丸的抗衰老机制。使用TCMSP数据库获得复方黄精大蜜丸各成分的活性成分及对应靶点,从GeneCards数据库中筛选获得衰老的相关靶点。使用String平台及Cytoscape3.9.1软件制作PPI网络;使用David平台对交集靶点进行GO与KEGG富集分析。使用AutoDockVina1.1.2对复方黄精大蜜丸的核心成分与核心靶点分子对接验证。结果表明,复方黄精大蜜丸通过槲皮素、山奈酚、异鼠李素核心成分作用于AKT1、TNF、IL6等核心靶点,参与PI3K-Akt信号通路、MAPK信号通路等通路。分子对接结果表明,大蜜丸中关键成分与核心靶点均有良好的结合活性。复方黄精大蜜丸可能通过发挥RNA聚合酶II启动子转录的正调控、基因表达的正向调控等作用从而达到抗衰老的目的。关键词复方黄精大蜜丸;抗衰老;网络药理学;KEGG分析;GO分析;分子对接Anti-agingMechanismofCompoundHuangjingBigHoneyedPillsBasedonNetworkPharmacologyandMolecularDockingCHENGaoce1#,WUXinyu1#,CHENYong2,SONGZile1,WUChao1,LIANGZehua1*1.ZhejiangChineseMedicineUniversity(Hangzhou311499);2.ZhejiangMingtaiPharmaceuticalCo.,Ltd(Hangzhou311200)AbstractUsingnetworkpharmacologyandmoleculardockingtechnology,exploretheanti-agingmechanismofCompoundHuangjingBigHoneyedPills.TheactiveingredientsandcorrespondingtargetsofeachcomponentofCompoundHuangjingBigHoneyedPillswereobtainedusingtheTCMSPdatabase,andtheaging-relatedtargetswerescreenedfromtheGeneCardsdatabase.ThePPInetworkwasconstructedusingtheStringplatformandCytoscape3.9.1software;GOandKEGGenrichmentanalysiswasperformedontheintersectiontargetsusingtheDavidplatform.UsedAutoDockVina1.1.2toverifythecorecomponentsandcoretargetsofCompoundHuangjingBigHoneyedPillsbymoleculardocking,theresultsshowedthatCompoundHuangjingBigHoneyedPillsactedoncoretargetssuchasAKT1,TNF,IL6throughthecorecomponentsofquercetin,kaempferolandisorhamnetin,andparticipatedinPI3K-Aktsignalingpathway,MAPKsignalingpathwayandotherpathways.Mol...
