【摘要】 目的 采用网络药理学和分子对接技术探讨健脾清化方改善肥胖状态下儿茶酚胺抵抗作用机制。方法 通过中药系统药理学数据库与分析平台对健脾清化方主要活性成分及相关作用靶点进行筛选；利用在线人类孟德尔遗传和GeneCards数据库筛选与肥胖相关的儿茶酚胺抵抗靶点；借助Cytoscape3.7.1软件构建“健脾清化方-有效活性成分-靶点”网络拓扑结构图及蛋白质互作网络图，从而识别关键靶点；将交集靶点导入DAVID数据库进行生物信息学分析；采用AutoDock Vina进行分子对接，初步筛选并进一步验证本复方核心化学成分。结果 筛选出复方中活性成分79种，成分靶点661种；筛选出肥胖状态下儿茶酚胺抵抗相关靶点1 337个，交集靶点共262个，主要关键靶点为信号转导及转录激活蛋白3、胱天蛋白酶3、B淋巴细胞瘤2及丝氨酸-苏氨酸蛋白激酶1(serine-threonine kinase 1，AKT1)等；京都基因与基因组百科全书分析结果示，健脾清化方改善肥胖状态下儿茶酚胺抵抗与神经活动配体-受体相互作用、磷脂酰肌醇-3-激酶/AKT1信号通路及环磷酸腺苷信号通路等有关。结论 健脾清化方改善肥胖状态下儿茶酚胺抵抗潜在作用机制的核心成分可能是4’,5-二羟基黄酮、黄芩素及华良姜素。更多还原

【Abstract】 Objective To explore the mechanism of Jianpi Qinghua formula in improving catecholamine resistance in obesity by network pharmacology and molecular docking techniques.Methods The main active components and related targets of Jianpi Qinghua formula were screened by the database of traditional Chinese medicine system pharmacology and analysis platform.Catecholamine resistance targets associated with obesity were screened by the online human Mendelian genetics and GeneCards databases.The network topology diagram of "Jianpi Qinghua formula-active ingredient-target" and the protein-protein interaction network diagram were constructed by Cytoscape3.7.1 software to identify key targets.The intersection targets were imported into DAVID database for bioinformatics analysis.AutoDock Vina was used for molecular docking to screen and further verify the core chemical components of the formula.Results A total of 79 active ingredients and 661 targets were screened in the formula.A total of 1 337 catecholamine resistance targets and 262 intersection targets were identified in obesity.The key targets were signal transducer and activator of transcription 3,caspase 3,B-cell lymphoma-2 and serine-threonine kinase 1(AKT1).The results of the analysis of the Kyoto Encyclopedia of Genes and Genome showed that the improvement of catecholamine resistance by Jianpi Qinghua formula in obesity was related to the neuroactive ligand-receptor interaction,phosphatidylinositol-3-kinase/AKT1 signaling pathway and cyclic adenosine monophosphate signaling pathway.Conclusion The core components of Jianpi Qinghua formula of the potential mechanism may be 4’,5-dihydroxyflavone,baicalein and jaranol in improving catecholamine resistance in obesity.更多还原