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一种用于探究中医方剂分子机制的模块分析方法:疏风解毒方剂的试验。

A Module Analysis Approach to Investigate Molecular Mechanism of TCM Formula: A Trial on Shu-feng-jie-du Formula.

机构信息

Institute of Automation, Chinese Academy of Sciences, Beijing 100190, China.

Institute of Chinese Materia Medica, China Academy of Chinese Medical Sciences, Beijing 100700, China.

出版信息

Evid Based Complement Alternat Med. 2013;2013:731370. doi: 10.1155/2013/731370. Epub 2013 Nov 26.

Abstract

At the molecular level, it is acknowledged that a TCM formula is often a complex system, which challenges researchers to fully understand its underlying pharmacological action. However, module detection technique developed from complex network provides new insight into systematic investigation of the mode of action of a TCM formula from the molecule perspective. We here proposed a computational approach integrating the module detection technique into a 2-class heterogeneous network (2-HN) which models the complex pharmacological system of a TCM formula. This approach takes three steps: construction of a 2-HN, identification of primary pharmacological units, and pathway analysis. We employed this approach to study Shu-feng-jie-du (SHU) formula, which aimed at discovering its molecular mechanism in defending against influenza infection. Actually, four primary pharmacological units were identified from the 2-HN for SHU formula and further analysis revealed numbers of biological pathways modulated by the four pharmacological units. 24 out of 40 enriched pathways that were ranked in top 10 corresponding to each of the four pharmacological units were found to be involved in the process of influenza infection. Therefore, this approach is capable of uncovering the mode of action underlying a TCM formula via module analysis.

摘要

在分子水平上,人们认识到中药方剂通常是一个复杂的系统,这使得研究人员难以全面理解其潜在的药理作用。然而,从复杂网络中发展出来的模块检测技术为从分子角度系统研究中药方剂的作用模式提供了新的视角。我们在这里提出了一种计算方法,将模块检测技术整合到一个 2 类异质网络(2-HN)中,该网络模型化了中药方剂的复杂药理系统。该方法分三个步骤进行:构建 2-HN、识别主要药理单元和通路分析。我们采用这种方法研究了疏风解毒(SHU)方剂,旨在发现其抵抗流感感染的分子机制。实际上,从 SHU 方剂的 2-HN 中鉴定出了四个主要药理单元,进一步的分析揭示了这四个药理单元所调节的生物通路数量。排名前 10 的 40 个富集通路中的 24 个与四个药理单元中的每一个都有对应关系,这些通路都被发现与流感感染过程有关。因此,这种方法能够通过模块分析揭示中药方剂的作用模式。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f3c9/3860149/ebc826650824/ECAM2013-731370.001.jpg

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