中国中医药图书情报杂志2024，Vol.48Issue(4)：69-73,5.DOI:10.3969/j.issn.2095-5707.202309072
基于网络药理学及分子对接探讨温阳化瘀解毒方治疗结直肠癌作用机制
Discussion on the Mechanism of Wenyang Huayu Jiedu Prescription in the Treatment of Colorectal Carcinoma Based on Network Pharmacology and Molecular Docking
摘要
Abstract
Objective To explore the mechanism of Wenyang Huayu Jiedu Prescription in the treatment of colorectal carcinoma through network pharmacology and molecular docking.Methods The active components and related targets of Wenyang Huayu Jiedu Prescription were retrieved from HERB database,and the disease targets related to colorectal carcinoma were retrieved from DisGeNET database.The intersection of active components and disease targets was uploaded to the STRING platform to construct a protein interaction network.Cytoscape 3.7.2 Vina 1.1.2 software was used to construct a Chinese materia medica-active components-target network.The OmicShare was used for GO function and KEGG pathway enrichment analysis,and the CB-Dock2 database was used for molecular docking.Results Wenyang Huayu Jiedu Prescription has 142 intersectional targets in the treatment of colorectal carcinoma.The core targets included TP53,AKT1 and TNF,involving active components such as baicalein,emodin,and gallic acid.GO function enrichment analysis showed that Wenyang Huayu Jiedu Prescription may be involved in biological processes such as cell proliferation,immune system processes,and negative regulation of biological processes.KEGG pathway enrichment analysis showed that Wenyang Huayu Jiedu Prescription may be involved in signaling pathways such as AGE-RAGE,MAPK and TNF.The molecular docking results indicated that the structure between apigenin,tetrandrine,aloe emodin,emodin,baicalin,β-elemene and TP53 was stable and the binding activity was good.Conclusion The action targets of Wenyang Huayu Jiedu Prescription in the treatment of colorectal carcinoma are closely related to TP53.It may acts on TP53 through various active components in Patrinia,Rhei Radix et Rhizoma,Paeoniae Radix Rubra and Asari Radix et Rhizoma,thereby inhibiting the progression of colorectal carcinoma.关键词
网络药理学/分子对接/温阳化瘀解毒方/结直肠癌Key words
network pharmacology/molecular docking/Wenyang Huayu Jiedu Prescription/colorectal carcinoma分类
医药卫生引用本文复制引用
徐拥建,廖群标,任亚冰,王媛媛,邓梦琪,陈鉴聪,程海晏,刘强..基于网络药理学及分子对接探讨温阳化瘀解毒方治疗结直肠癌作用机制[J].中国中医药图书情报杂志,2024,48(4):69-73,5.基金项目
广东省中医药局科研项目(20221358、20241266) （20221358、20241266）
中国医学科学院肿瘤医院深圳医院院内科研课题(E010222009、E010221011) （E010222009、E010221011）
深圳市名中医药专家传承工作室建设项目(2021年) （2021年）
