[1]曹伊媛,陈 颖,周 薏,等.基于网络药理学研究柴胡疏肝散治疗急性胰腺炎的作用机制*[J].陕西中医,2020,(7):994-998.[doi:DOI:10.3969/j.issn.10007369.2020.07.047]
　CAO Yiyuan,CHEN Ying,ZHOU Yi,et al.Study on the mechanism of Chaihu Shugan san in treating acute pancreatitis based on network pharmacology[J].,2020,(7):994-998.[doi:DOI:10.3969/j.issn.10007369.2020.07.047]
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基于网络药理学研究柴胡疏肝散治疗急性胰腺炎的作用机制*
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《陕西中医》[ISSN:1000-7369/CN:61-1281/TN]

卷:
期数:
2020年7期
页码:
994-998
栏目:
方药纵横
出版日期:
2020-07-05

文章信息/Info

Title:
Study on the mechanism of Chaihu Shugan san in treating acute pancreatitis based on network pharmacology
作者:
曹伊媛1; 陈 颖1; 周 薏2; 张慧倩1; 李国文1△
1.上海中医药大学附属上海市中西医结合医院药剂科(上海 200082); 2.上海中医药大学附属上海市中西医结合医院消化内科(上海 200082)
Author(s):
CAO Yiyuan; CHEN Ying; ZHOU Yi; et al.
Department of Pharmacy,Shanghai Hospital of Integrated Traditional Chinese and Western Medicine,Shanghai University of Traditional Chinese Medicine(Shanghai 200082)
关键词:
网络药理学;  急性胰腺炎;  柴胡疏肝散;  分子对接;  蛋白;  作用机制
Keywords:
Network pharmacology;  Acute pancreatitis;  Chaihu Shugan San;  Mechanism;  Protein;  Molecular docking
分类号:
R657.51
DOI:
DOI:10.3969/j.issn.10007369.2020.07.047
文献标志码:
A
摘要:
目的:基于网络药理学,筛选柴胡疏肝散(CSS)化学成分和潜在作用靶点,探究其治疗急性胰腺炎(AP)可能的作用机制。方法:采用TCMSP数据库检索、筛选CSS中七味中药柴胡、川芎、香附、白芍、枳壳、陈皮、甘草的主要活性成分及对应蛋白靶标。通过Drugbank和TTD数据库收集已知调控AP的蛋白靶标,与成分对应蛋白相对应,筛选出共有基因作为候选预测靶标。采用String数据库对预测靶标进行基因本体(GO)功能分析以及KEGG通路富集分析,Discovery studio 3.0软件对候选活性成分与候选靶标进行虚拟对接。利用Cytoscape 3.7.2绘制“成分-靶标”和“蛋白-通路”网络图。结果:通过口服利用度(OB)、类药性(DL)、药物半衰期(HL)筛选CSS全方成分,共得68个活性成分。网络分析表明,CSS中的柴胡皂苷C、柴胡皂苷D、叶酸、柚皮苷、橙皮苷和甘草苷可能通过癌症、PI3K-Akt、细胞凋亡、AGE-RAGE等信号通路来调控BCL2L1、PTGS2、MCL1、RAF1、IL-6、AKT1等25个靶点治疗急性胰腺炎。结论:建立CSS-AP-靶点互作网络来诠释多成分-多靶点-多途径的复杂机制,为进一步研究CSS治疗AP的作用及分子机制提供了新思路和新方向。
Abstract:
Objective:Based on the network pharmacology,the chemical constituents and potential targets of Chaihu Shugan san(CSS)were screened to explore the possible mechanism of action in the treatment of acute pancreatitis(AP).Methods:The TCMSP database was used to search and screen the main active components and corresponding protein targets of Radix Bupleuri,Ligusticum Wallichii,Rhizoma Cyperi,Radix Paeoniae Alba,Fructus Aurantii,Pericarpium Citri Reticulatae,Liquorice in CSS.Protein targets known to regulate AP were collected by Drugbank and TTD databases,corresponding to the corresponding proteins of the components,and the consensus genes were screened as candidate prediction targets.Using the String database to perform gene ontology(GO)functional analysis and KEGG pathway enrichment analysis on the predicted target,Discovery studio 3.0 software virtualized the candidate active components and candidate targets,and draw “active component-protein” and “target-KEGG pathway” network based on Cytoscape 3.7.2.Results:The CSS components were screened by oral availability(OB),drug-like(DL),and half-life(HL).A total of 68 active components were obtained.Network analysis indicated that saikosaponin C,saikosaponin D,folic acid,naringin,hesperidin and liquiritin in CSS may regulate BCL2L1,PTGS2,MCL1,RAF1,IL-6,AKT1 through cancer,PI3K-Akt,apoptosis,AGE-RAGE pathway for the treatment of acute pancreatitis.Conclusion:The establishment of CSS-AP-target interaction network to interpret the complex mechanism of multi-component,multi-target,multi-pathway provides new ideas and new directions for further study.

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备注/Memo

备注/Memo:
*上海市卫生和计划生育委员会科研课题(201740166)
更新日期/Last Update: 2020-07-09