Abstract
Traditional Chinese Medicine (TCM), with a history of thousands of years of clinical practice, is gaining more and more attention and application worldwide. And TCM-based new drug development, especially for the treatment of complex diseases is promising. However, owing to the TCM’s diverse ingredients and their complex interaction with human body, it is still quite difficult to uncover its molecular mechanism, which greatly hinders the TCM modernization and internationalization. Here we developed the first online Bioinformatics Analysis Tool for Molecular mechANism of TCM (BATMAN-TCM). Its main functions include 1) TCM ingredients’ target prediction; 2) functional analyses of targets including biological pathway, Gene Ontology functional term and disease enrichment analyses; 3) the visualization of ingredient-target-pathway/disease association network and KEGG biological pathway with highlighted targets; 4) comparison analysis of multiple TCMs. Finally, we applied BATMAN-TCM to Qishen Yiqi dripping Pill (QSYQ) and combined with subsequent experimental validation to reveal the functions of renin-angiotensin system responsible for QSYQ’s cardioprotective effects for the first time. BATMAN-TCM will contribute to the understanding of the “multi-component, multi-target and multi-pathway” combinational therapeutic mechanism of TCM, and provide valuable clues for subsequent experimental validation, accelerating the elucidation of TCM’s molecular mechanism. BATMAN-TCM is available at http://bionet.ncpsb.org/batman-tcm.
Highlights
Physiology or Medicine in 2015 and so on
As the emergence of databases for herbal ingredients (e.g. TCM-ID7, TCM Database@Taiwan[8], TCMID6) and the development of compound-target interaction prediction methods [e.g. 9–12], more and more evidence indicates that combining target prediction of herbal ingredients and subsequent network pharmacology analyses is a feasible and powerful way to analyze the molecular mechanism of TCM13–18
We found that our prediction model obtained excellent prediction performance (ROC area under the curve (AUC) = 0.9663) (Fig. 1A)
Summary
Physiology or Medicine in 2015 and so on. And in China, more than 70 drugs developed based on TCMs have been widely applied in clinic (China FDA website: http://www.sfda.gov.cn/WS01/CL0001/). We developed the first online bioinformatics analysis tool specially designed for the research of molecular mechanism of TCM - BATMAN-TCM (a Bioinformatics Analysis Tool for Molecular mechANism of Traditional Chinese Medicine), which was based on TCM ingredients’ target prediction and subsequent network pharmacology analyses. This tool will contribute to the understanding of the therapeutic mechanism of TCM (“multi-component, multi-target and multi-pathway”), and provide clues for the following experimental validation
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