Yang Dongqing, Zhu Zhu, Yao Qi, Chen Cuihua, Chen Feiyan, Gu Ling, Jiang Yucui, Chen Lin, Zhang Jingyuan, Wu Juan, Gao Xingsu, Wang Junqin, Li Guochun, Zhao Yunan
Department of Public Health, School of Medicine & Holistic Integrative Medicine, Nanjing University of Chinese Medicine, Nanjing 210023, China.
Department of Pathology and Pathophysiology, School of Medicine & Holistic Integrative Medicine, Nanjing University of Chinese Medicine, Nanjing 210023, China.
Comput Struct Biotechnol J. 2023 Nov 20;21:5807-5817. doi: 10.1016/j.csbj.2023.11.030. eCollection 2023.
Traditional Chinese medicine (TCM) databases play a vital role in bridging the gap between TCM and modern medicine, as well as in promoting the popularity of TCM. Elucidating the bioactive ingredients of Chinese medicinal materials is key to TCM modernization and new drug discovery. However, one drawback of current TCM databases is the lack of quantitative data on the constituents of Chinese medicinal materials. Herein, we present ccTCM, a web-based platform designed to provide a component and compound-content-based resource on TCM and analysis services for medical experts. In terms of design features, ccTCM combines resource distribution, similarity analysis, and molecular-mechanism analysis to accelerate the discovery of bioactive ingredients in TCM. ccTCM contains 273 Chinese medicinal materials commonly used in clinical settings, covering 29 functional classifications. By searching and comparing, we finally adopted 2043 studies, from which we collected the compounds contained in each TCM with content greater than 0.001 %, and a total of 1449 were extracted. Subsequently, we collected 40,767 compound-target pairs by integrating multiple databases. Taken together, ccTCM is a versatile platform that can be used by TCM scientists to perform scientific and clinical TCM studies based on quantified ingredients of Chinese medicinal materials. ccTCM is freely accessible at http://www.cctcm.org.cn.
传统中药（TCM）数据库在弥合中医与现代医学之间的差距以及促进中医普及方面发挥着至关重要的作用。阐明中药材的生物活性成分是中医现代化和新药研发的关键。然而，当前中药数据库的一个缺点是缺乏中药材成分的定量数据。在此，我们展示了ccTCM，这是一个基于网络的平台，旨在提供基于成分和化合物含量的中药资源，并为医学专家提供分析服务。在设计特点方面，ccTCM结合了资源分配、相似性分析和分子机制分析，以加速发现中药中的生物活性成分。ccTCM包含273种临床常用的中药材，涵盖29种功能分类。通过搜索和比较，我们最终采用了2043项研究，从中收集了每种中药中含量大于0.001%的化合物，共提取了1449种。随后，我们通过整合多个数据库收集了40767个化合物-靶点对。综上所述，ccTCM是一个多功能平台，可供中医科学家基于中药材的量化成分进行科学和临床中医研究。可通过http://www.cctcm.org.cn免费访问ccTCM。
