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ETCM v2.0: An update with comprehensive resource and rich annotations for traditional Chinese medicine

文献类型：期刊论文

作者Zhang, Yanqiong1; Li, Xin1; Shi, Yulong2; Chen, Tong3; Xu, Zhijian2; Wang, Ping1; Yu, Meng1; Chen, Wenjia1; Li, Bing1; Jing, Zhiwei4
刊名ACTA PHARMACEUTICA SINICA B
出版日期2023-06-01
卷号13期号:6页码:2559-2571
ISSN号2211-3835
关键词Traditional Chinese medicine Database Target identification Network visualization New drug research and development Molecular mechanism Quality marker Drug repurposing
DOI10.1016/j.apsb.2023.03.012
通讯作者Xu, Haiyu(hyxu@icmm.ac.cn)
英文摘要Existing traditional Chinese medicine (TCM)-related databases are still insufficient in data standardization, integrity and precision, and need to be updated urgently. Herein, an Encyclopedia of Traditional Chinese Medicine version 2.0 (ETCM v2.0, http://www.tcmip.cn/ETCM2/front/#/) was constructed as the latest curated database hosting 48,442 TCM formulas recorded by ancient Chinese medical books, 9872 Chinese patent drugs, 2079 Chinese medicinal materials and 38,298 ingredients. To facilitate the mechanistic research and new drug discovery, we improved the target identification method based on a two-dimensional ligand similarity search module, which provides the confirmed and/or potential targets of each ingredient, as well as their binding activities. Importantly, five TCM formulas/Chinese patent drugs/herbs/ingredients with the highest Jaccard similarity scores to the submitted drugs are offered in ETCM v2.0, which may be of significance to identify prescriptions/herbs/ingredients with similar clinical efficacy, to summarize the rules of prescription use, and to find alternative drugs for endangered Chinese medicinal materials. Moreover, ETCM v2.0 provides an enhanced JavaScript-based network visualization tool for creating, modifying and exploring multi-scale biological networks. ETCM v2.0 may be a major data warehouse for the quality marker identification of TCMs, the TCM-derived drug discovery and re -purposing, and the pharmacological mechanism investigation of TCMs against various human diseases.(C) 2023 Chinese Pharmaceutical Association and Institute of Materia Medica, Chinese Academy of Medical Sciences. Production and hosting by Elsevier B.V. This is an open access article under the CC BY-NC-ND license (http://creativecommons.org/licenses/by-nc-nd/4.0/).
WOS关键词NETWORK PHARMACOLOGY ; DATABASE ; DRUGS ; RULE
资助项目Key project at the National Natural Science Foundation of China , China[81830111] ; Key project at the National Natural Science Foundation of China , China[82030122] ; Innovation Project of China Academy of Chinese Medical Sciences, China[CI2021A04907]
WOS研究方向Pharmacology & Pharmacy
语种英语
出版者INST MATERIA MEDICA, CHINESE ACAD MEDICAL SCIENCES
WOS记录号WOS:001026869900001
源URL[http://119.78.100.183/handle/2S10ELR8/306448]  
专题新药研究国家重点实验室
通讯作者Xu, Haiyu
作者单位1.China Acad Chinese Med Sci, Inst Chinese Mat Med, Beijing 100700, Peoples R China
2.Chinese Acad Sci, Shanghai Inst Mat Med, Drug Discovery & Design Ctr, State Key Lab Drug Res, Shanghai 201203, Peoples R China
3.Chinese Acad Chinese Med Sci, Natl Resource Ctr Chinese Mat Med, Beijing 100700, Peoples R China
4.China Acad Chinese Med Sci, Inst Basic Res Clin Med, Beijing 100700, Peoples R China
5.Shaanxi Acad Tradit Chinese Med, Xian 710003, Peoples R China
6.Guizhou Med Univ, State Key Lab Funct & Applicat Med Plants, Guizhou Prov Key Lab Pharmaceut, Guiyang 550004, Peoples R China
7.China Acad Chinese Med Sci, Beijing 100700, Peoples R China
推荐引用方式
GB/T 7714		 Zhang, Yanqiong,Li, Xin,Shi, Yulong,et al. ETCM v2.0: An update with comprehensive resource and rich annotations for traditional Chinese medicine[J]. ACTA PHARMACEUTICA SINICA B,2023,13(6):2559-2571.
APA Zhang, Yanqiong.,Li, Xin.,Shi, Yulong.,Chen, Tong.,Xu, Zhijian.,...&Xu, Haiyu.(2023).ETCM v2.0: An update with comprehensive resource and rich annotations for traditional Chinese medicine.ACTA PHARMACEUTICA SINICA B,13(6),2559-2571.
MLA Zhang, Yanqiong,et al."ETCM v2.0: An update with comprehensive resource and rich annotations for traditional Chinese medicine".ACTA PHARMACEUTICA SINICA B 13.6(2023):2559-2571.

入库方式： OAI收割

来源：上海药物研究所

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