中国临床药理学杂志2023，Vol.39Issue(23)：3486-3490,5.DOI:10.13699/j.cnki.1001-6821.2023.23.031
基于网络药理学和分子对接研究"乌药蜜饮"对治疗结直肠癌的作用
Effects of Wuyaomi recipe in prevention of colorectal cancer based on network pharmacology and molecular docking
余炜 1魏丞 2余辉 1陈娟 1郭增清 3黄静 1陈婧 4廖联明5
作者信息
- 1. 福建医科大学肿瘤临床医学院,福建省肿瘤医院药剂科,福建福州 350014
- 2. 福建医科大学肿瘤临床医学院,福建省肿瘤医院肿瘤外科,福建福州 350014
- 3. 福建医科大学肿瘤临床医学院,福建省肿瘤医院肿瘤内科,福建福州 350014
- 4. 厦门大学附属第一医院杏林分院药剂科,福建厦门 361022
- 5. 福建医科大学附属协和医院中心实验室,福建福州 350001
- 折叠
摘要
Abstract
Objective To explore the effective components of Wuyaomi recipe and the main biological processes and signal pathways involved in the therapeutic mechanism of the recipe in treatment of colorectal cancer through network pharmacology and molecular docking approaches.Methods The potential compounds and related target genes were analyzed through the traditional Chinese medicine system pharmacology database and analysis platform.Colorectal cancer related genes were from five databases including online Mendelian inheritance in man,PharmGKB and Genecards databases.Cytoscape 3.8.2 software was used to construct the"ingredient-disease-target"network and the core targets and key components were obtained and analyzed.The gene annotation tool of DAVID database was used to perform Kyoto encyclopedia of genes and genomes pathway enrichment analysis.Finally,AutoDock Vina 1.1.2 software was used to perform molecular docking.Results We finally identified 4 active ingredients(luteolin,quercetin,baicalein,wogonin)and 14 core target genes,including cellular tumor antigen p53,ARC-alpha serine/threonine-protein kinase 1,mitogen-activated protein kinase 1,etc.These core target genes were mainly related to phosphatidylinositol 3 kinase-serine/threonine kinase signaling pathway and other tumor-related signaling pathways are regulated to induce cell cycle arrest and apoptosis,thus achieving the purpose of colorectal cancer treatment.The results of molecular docking suggested that luteolin was capable of binding with multiple core target proteins under natural condition.Conclusion We found that several components of Wuyaomi recipe were involved in treating colorectal cancer through multiple targets and multiple pathways.关键词
乌药蜜饮/结直肠癌/网络药理学/分子对接Key words
Wuyaomi recipe/colorectal cancer/network pharmacology/molecular docking分类
医药卫生引用本文复制引用
余炜,魏丞,余辉,陈娟,郭增清,黄静,陈婧,廖联明..基于网络药理学和分子对接研究"乌药蜜饮"对治疗结直肠癌的作用[J].中国临床药理学杂志,2023,39(23):3486-3490,5.
