摘要
模块药理学通过对多维度、多靶点生物网络的系统解构阐释疾病复杂机制和药物多靶点相互作用关系,在疾病发生发展机制、病证生物学基础、中药多靶点药理机制解析、方剂组方配伍规律研究、中药复方新药发现等领域取得了应用进展.多组学数据和生物网络的复杂性特点为网络的模块化解构和应用带来障碍,该文研究构建了"模块药理计算平台"在线分析系统,针对定量表达谱数据和蛋白-蛋白相互作用(PPI)数据实现网络构建与模块划分、模块判别分析、主要模块分析、模块内关系分析、模块间关系分析、网络拓扑和可视化等功能,为基于模块药理学的复杂疾病和多靶点药物机制研究提供有力工具.平台将在疾病模块识别与关联机制、中医药科学原理解读、中药及方剂复杂作用机制解析、多靶点药物发现等领域具有广阔的应用空间.
Abstract
Based on the systematic deconstruction of multi-dimensional and multi-target biological networks,modular pharmacology explains the complex mechanism of diseases and the interactions of multi-target drugs.It has made progress in the fields of pathogenesis of disease,biological basis of disease and traditional Chinese medicine(TCM)syndrome,pharmacological mechanism of multi-target herbs,compatibility of formulas,and discovery of new drug of TCM compound.However,the complexity of multi-omics data and bio-logical networks brings challenges to the modular deconstruction and analysis of the drug networks.Here,we constructed the"Compu-ting Platform for Modular Pharmacology"online analysis system,which can implement the function of network construction,module identification,module discriminant analysis,hub-module analysis,intra-module and inter-module relationship analysis,and topologi-cal visualization of network based on quantitative expression profiles and protein-protein interaction(PPI)data.This tool provides a powerful tool for the research on complex diseases and multi-target drug mechanisms by means of modular pharmacology.The platform may have broad range of application in disease modular identification and correlation mechanism,interpretation of scientific principles of TCM,analysis of complex mechanisms of TCM and formulas,and discovery of multi-target drugs.
基金项目
中国中医科学院科技创新工程项目(C12023C063YLL)
国家"重大新药创制"科技重大专项(2017ZX09031059)
国家自然科学基金项目(81803966)
NETL
NSTL
万方数据