基于系统虚拟药理学与归经理论研究归大肠经中药抗结直肠癌药效物质基础

Material Basis Study of Traditional Chinese Medicine with Large Intestine Channel on Anti-colorectal Cancer Based on Systematical In-silico Pharmacology and Meridian Tropism Theory

目的:基于系统虚拟药理学与归经理论研究归大肠经中药抗结直肠癌(CRC)药效物质基础,对该类中药在分子网络层面上进行探析。方法:选择了10个CRC相关靶点,构建归大肠经中药化学成分分子数据库,探讨数据库分子与CRC靶点间相互作用关系,并应用Western blot对部分数据进行了验证。结果:共筛选出30个归大肠经中药活性分子与10个CRC靶点有一定的潜在协同效应。结论:本实验从分子层次上阐释了归大肠经中药抗CRC药效物质基础,为该类中药的临床应用提供了科学依据,同时也为寻找抗CRC药物提供一定的参考和借鉴。

Objective:To investigate the material basis of Traditional Chinese Medicine with large intestine channel on anti-colorectal cancer(CRC)by systematical in-silico pharmacology and meridian tropism theory,and explain the compound effects at molecular levels.Methods:Ten CRC targets were firstly selected,and the chemical composition database of Traditional Chinese Medicine with large intestine channel was constructed.Finally,the interactions between the composition database and the CRC targets were explored and some of the data was experimentally validated by western blot.Results:Good synergistic effects existed between thirty active Chinese medicine components with large intestine channel and the ten CRC targets.Conclusion:This study gives a molecular description of the pharmacodynamic material basis for the systematical in-silico pharmacology on anti-CRC of Traditional Chinese Medicine with large intestine channel,and provides scientific basis for the clinical application of this kind of traditional Chinese medicine.This research may points the way to discover new lead and entities for anti-CRC.