BATMAN-TCM 2.0: an enhanced integrative database for known and predicted interactions between traditional Chinese medicine ingredients and target proteins

中医药 中草药 药物发现 活性成分 计算生物学 传统医学 药理学 生物 医学 生物信息学 替代医学 病理
作者
Xiangren Kong,Chao Liu,Zuzhen Zhang,Meiqi Cheng,Zhijun Mei,Xiang‐Dong Li,Peng Liu,Lihong Diao,Yajie Ma,Peng Jiang,Xiangya Kong,Shiyan Nie,Yingzi Guo,Ze Wang,Xinlei Zhang,Yan Wang,Liujun Tang,Shuzhen Guo,Zhongyang Liu,Dong Li
出处
期刊:Nucleic Acids Research [Oxford University Press]
卷期号:52 (D1): D1110-D1120 被引量:165
标识
DOI:10.1093/nar/gkad926
摘要

Traditional Chinese medicine (TCM) is increasingly recognized and utilized worldwide. However, the complex ingredients of TCM and their interactions with the human body make elucidating molecular mechanisms challenging, which greatly hinders the modernization of TCM. In 2016, we developed BATMAN-TCM 1.0, which is an integrated database of TCM ingredient-target protein interaction (TTI) for pharmacology research. Here, to address the growing need for a higher coverage TTI dataset, and using omics data to screen active TCM ingredients or herbs for complex disease treatment, we updated BATMAN-TCM to version 2.0 (http://bionet.ncpsb.org.cn/batman-tcm/). Using the same protocol as version 1.0, we collected 17 068 known TTIs by manual curation (with a 62.3-fold increase), and predicted ∼2.3 million high-confidence TTIs. In addition, we incorporated three new features into the updated version: (i) it enables simultaneous exploration of the target of TCM ingredient for pharmacology research and TCM ingredients binding to target proteins for drug discovery; (ii) it has significantly expanded TTI coverage; and (iii) the website was redesigned for better user experience and higher speed. We believe that BATMAN-TCM 2.0, as a discovery repository, will contribute to the study of TCM molecular mechanisms and the development of new drugs for complex diseases.
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