Research progress in the application of chemical space in the field of Traditional Chinese Medicine

VernacularTitle:化学空间应用于中医药领域的研究进展
Author: Qiong LIU ¹ ; Lei LEI ; Lin CHEN ; Yafei CHEN ; Zhong WANG ; Hainan WANG
Author Information

1. 中国中医科学院中医临床基础医学研究所，北京　100700
Keywords: Databases, chemical; Chemical space; Chemical compositions (TCD); Molecular mechanisms of pharmacological action (TCD); Formula analysis, computer assiste
From: International Journal of Traditional Chinese Medicine 2022;44(4):460-464
CountryChina
Language:Chinese
Abstract: Combined with the related research progress of the application of chemical space in the field of Traditional Chinese Medicine (TCM), the common database resources and calculation tools of chemical space research are summarized and analyzed. The compatibility law of chemical space in TCM prescriptions, the screening of effective ingredients of TCMs, and TCM compounds are summarized. It was found that the current studies mainly focus on the efficacy and multi-target studies of TCMs and TCM compound, among which there are more studies on osteoarthritis and rheumatoid arthritis. The existing studies have clarified the efficacy and targets of TCMs or TCM compound for diseases, but there is still a lack of a database on the main components of all TCMs and the efficacy and main targets of TCM compound. Therefore, there needs a new database for the main efficacy molecules and targets of TCMs.