Effects of Wuyaomi recipe in prevention of colorectal cancer based on network pharmacology and molecular docking
10.13699/j.cnki.1001-6821.2023.23.031
- VernacularTitle: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
- Author:
Wei YU
1
;
Cheng WEI
;
Hui YU
;
Juan CHEN
;
Zeng-Qing GUO
;
Jing HUANG
;
Jing CHEN
;
Lian-Ming LIAO
Author Information
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
- Keywords:
Wuyaomi recipe;
colorectal cancer;
network pharmacology;
molecular docking
- From:
The Chinese Journal of Clinical Pharmacology
2023;39(23):3486-3490
- CountryChina
- Language:Chinese
-
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.
