TY - JOUR
T1 - TCMSID
T2 - a simplified integrated database for drug discovery from traditional chinese medicine
AU - Zhang, Liu-Xia
AU - Dong, Jie
AU - Wei, Hui
AU - Shi, Shao-Hua
AU - Lu, Ai-Ping
AU - Deng, Gui-Ming
AU - Cao, Dong-Sheng
N1 - Funding Information:
This work was supported by The National Key Research and Development Program of China (2021YFF1201400), National Natural Science Foundation of China (22173118, 22003078), Hunan Provincial Science Fund for Distinguished Young Scholars (2021JJ10068), the Science and Technology Innovation Program of Hunan Province (2021RC4011), Changsha Municipal Natural Science Foundation (kq2014144), Changsha Science and Technology Bureau project (kq2001034), and HKBU Strategic Development Fund project (SDF190402P02).
Funding Information:
We acknowledge Haikun Xu, and the High-Performance Computing Center of Central South University for support. The study was approved by the university’s review board.
Publisher Copyright:
© 2022, The Author(s).
PY - 2022/12/31
Y1 - 2022/12/31
N2 - Traditional Chinese Medicine (TCM) has been widely used in the treatment of various diseases for millennia. In the modernization process of TCM, TCM ingredient databases are playing more and more important roles. However, most of the existing TCM ingredient databases do not provide simplification function for extracting key ingredients in each herb or formula, which hinders the research on the mechanism of actions of the ingredients in TCM databases. The lack of quality control and standardization of the data in most of these existing databases is also a prominent disadvantage. Therefore, we developed a Traditional Chinese Medicine Simplified Integrated Database (TCMSID) with high storage, high quality and standardization. The database includes 499 herbs registered in the Chinese pharmacopeia with 20,015 ingredients, 3270 targets as well as corresponding detailed information. TCMSID is not only a database of herbal ingredients, but also a TCM simplification platform. Key ingredients from TCM herbs are available to be screened out and regarded as representatives to explore the mechanism of TCM herbs by implementing multi-tool target prediction and multilevel network construction. TCMSID provides abundant data sources and analysis platforms for TCM simplification and drug discovery, which is expected to promote modernization and internationalization of TCM and enhance its international status in the future. TCMSID is freely available at https://tcm.scbdd.com.
AB - Traditional Chinese Medicine (TCM) has been widely used in the treatment of various diseases for millennia. In the modernization process of TCM, TCM ingredient databases are playing more and more important roles. However, most of the existing TCM ingredient databases do not provide simplification function for extracting key ingredients in each herb or formula, which hinders the research on the mechanism of actions of the ingredients in TCM databases. The lack of quality control and standardization of the data in most of these existing databases is also a prominent disadvantage. Therefore, we developed a Traditional Chinese Medicine Simplified Integrated Database (TCMSID) with high storage, high quality and standardization. The database includes 499 herbs registered in the Chinese pharmacopeia with 20,015 ingredients, 3270 targets as well as corresponding detailed information. TCMSID is not only a database of herbal ingredients, but also a TCM simplification platform. Key ingredients from TCM herbs are available to be screened out and regarded as representatives to explore the mechanism of TCM herbs by implementing multi-tool target prediction and multilevel network construction. TCMSID provides abundant data sources and analysis platforms for TCM simplification and drug discovery, which is expected to promote modernization and internationalization of TCM and enhance its international status in the future. TCMSID is freely available at https://tcm.scbdd.com.
KW - Ingredient database
KW - Chinese medicine
KW - Key ingredients
KW - Multi‑tool target prediction
UR - http://www.scopus.com/inward/record.url?scp=85145395786&partnerID=8YFLogxK
U2 - 10.1186/s13321-022-00670-z
DO - 10.1186/s13321-022-00670-z
M3 - Journal article
AN - SCOPUS:85145395786
SN - 1758-2946
VL - 14
JO - Journal of Cheminformatics
JF - Journal of Cheminformatics
M1 - 89
ER -