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中药网络药理学整合平台及其在 Qing-Luo-Yin 方剂中的应用。

An Integrative Platform of TCM Network Pharmacology and Its Application on a Herbal Formula, Qing-Luo-Yin.

机构信息

Bioinformatics Division and Center for Synthetic and Systems Biology, TNLIST/Department of Automation, Tsinghua University, Room 1-107, FIT Building, Beijing 100084, China ; Joint Computational Center of Drug Discovery, Tianjin International Joint Academy of Biotechnology & Medicine, Tianjin 300457, China.

出版信息

Evid Based Complement Alternat Med. 2013;2013:456747. doi: 10.1155/2013/456747. Epub 2013 Apr 9.

Abstract

The scientific understanding of traditional Chinese medicine (TCM) has been hindered by the lack of methods that can explore the complex nature and combinatorial rules of herbal formulae. On the assumption that herbal ingredients mainly target a molecular network to adjust the imbalance of human body, here we present a-self-developed TCM network pharmacology platform for discovering herbal formulae in a systematic manner. This platform integrates a set of network-based methods that we established previously to catch the network regulation mechanism and to identify active ingredients as well as synergistic combinations for a given herbal formula. We then provided a case study on an antirheumatoid arthritis (RA) formula, Qing-Luo-Yin (QLY), to demonstrate the usability of the platform. We revealed the target network of QLY against RA-related key processes including angiogenesis, inflammatory response, and immune response, based on which we not only predicted active and synergistic ingredients from QLY but also interpreted the combinatorial rule of this formula. These findings are either verified by the literature evidence or have the potential to guide further experiments. Therefore, such a network pharmacology strategy and platform is expected to make the systematical study of herbal formulae achievable and to make the TCM drug discovery predictable.

摘要

由于缺乏能够探索草药方剂复杂性质和组合规则的方法,传统中药(TCM)的科学认识一直受到阻碍。在这里,我们假设草药成分主要针对一个分子网络来调节人体的失衡,提出了一个自行开发的 TCM 网络药理学平台,用于系统地发现草药方剂。该平台集成了我们之前建立的一套基于网络的方法,以捕捉网络调节机制,并识别给定草药方剂的活性成分和协同组合。然后,我们提供了一个抗类风湿关节炎(RA)方剂 Qing-Luo-Yin(QLY)的案例研究,以展示该平台的可用性。我们揭示了 QLY 针对 RA 相关关键过程(包括血管生成、炎症反应和免疫反应)的靶标网络,在此基础上,我们不仅预测了 QLY 的活性和协同成分,还解释了该方剂的组合规则。这些发现要么得到文献证据的验证,要么有可能指导进一步的实验。因此,这种网络药理学策略和平台有望使草药方剂的系统研究成为可能,并使 TCM 药物发现具有可预测性。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/4de5/3638581/e17caeeb1a33/ECAM2013-456747.001.jpg

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