Identifying medication regularity of traditional Chinese medicine and potential pharmacological mechanism of Jiedu Sangen decoction in colorectal cancer treatment by data mining and network pharmacology

Objective: Colorectal cancer (CRC) is one of the most common malignancies in the world, and traditional Chinese medicine (TCM) is widely used in its treatment in China. However, the medication rules of TCM for CRC treatment remain unclear. Therefore, data mining combined with network pharmacology was utilized to establish treatment principles and rules. Methods: The CRC cases treated at Zhejiang Provincial Hospital of Chinese Medicine from January 1, 2016 to October 31, 2021 were analyzed using data mining methods. UPLC-Q/TOF-MS analysis was performed to identify the chemical composition of Jiedu Sangen decoction (JSD). Network pharmacology was used to reveal the therapeutic mechanism of JSD. Results: A total of 312 cases 2,998 prescriptions that met the inclusion criteria used 343 kinds of traditional Chinese medicines. The nature of the herbs used in treatment was mainly warm and mild. The taste was mainly sweet, bitter, and pungent. The meridian tropisms were mainly the spleen meridian, followed by lung and stomach meridians. Tonifying and replenishing herbs were the most frequently used in treatment. High-frequency herbs were classified into 11 categories by cluster analysis, and 42 association rules were obtained by association rule analysis. Combined with complex network analysis, 3 core prescriptions for clinical CRC treatment were obtained. Jiedu Sangen decoction contains 64 chemical ingredients, out of which 31 active ingredients were identified, including polydatin, caffeic acid, and glutamic acid, along with 130 potential targets such as AKT1, SRC, and MAPK1. Jiedu Sangen decoction may play a role in regulating inflammation, immunity, metabolism, and hormones in the development of CRC via pathways such as the relaxin signaling pathway, IL-17 signaling pathway, prolactin signaling pathway, and T cell receptor signaling pathway. Conclusions: This study summarizes the treatment and medication principles for clinical CRC treatment, promoting the inheritance and development of the traditional Chinese medical experience.