BATMAN-TCM 2.0:一个增强型的综合性数据库,用于已知和预测的中药成分与靶蛋白之间的相互作用。

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

机构信息

State Key Laboratory of Proteomics, Beijing Proteome Research Center, National Center for Protein Sciences (Beijing), Beijing Institute of Lifeomics, Beijing 102206, China.

School of Basic Medical Sciences, Anhui Medical University, Hefei 230032, China.

出版信息

Nucleic Acids Res. 2024 Jan 5;52(D1):D1110-D1120. doi: 10.1093/nar/gkad926.

Abstract

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.

摘要

传统中药(TCM)在世界范围内越来越受到认可和应用。然而,TCM 的复杂成分及其与人体的相互作用使得阐明分子机制具有挑战性,这极大地阻碍了 TCM 的现代化进程。2016 年,我们开发了 BATMAN-TCM 1.0,这是一个用于药理学研究的 TCM 成分-靶蛋白相互作用(TTI)的综合数据库。在这里,为了满足对更高覆盖率 TTI 数据集的需求,以及利用组学数据筛选用于复杂疾病治疗的活性 TCM 成分或草药,我们将 BATMAN-TCM 更新到了 2.0 版本(http://bionet.ncpsb.org.cn/batman-tcm/)。使用与 1.0 版本相同的方案,我们通过人工策展收集了 17068 个已知的 TTIs(增加了 62.3 倍),并预测了约 230 万个高可信度的 TTIs。此外,我们在更新版本中加入了三个新功能:(i)它可以同时探索 TCM 成分的药理学研究靶标和 TCM 成分与靶蛋白结合的药物发现靶标;(ii)它大大扩展了 TTI 的覆盖范围;(iii)网站进行了重新设计,以提高用户体验和速度。我们相信,BATMAN-TCM 2.0 作为一个发现资源库,将有助于 TCM 分子机制的研究和复杂疾病新药的开发。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/5680/10767940/a2c63228d01e/gkad926figgra1.jpg

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