Deciphering chemical and metabolite profiling of Chang-Kang-Fang by UPLC-Q-TOF-MS/MS and its potential active components identification.
10.1016/S1875-5364(23)60474-1
- Author:
Fengge YANG
1
;
Sihao ZHANG
1
;
Danmei TIAN
1
;
Guirong ZHOU
2
,
3
;
Xiyang TANG
1
;
Xinglong MIAO
2
,
3
;
Yi HE
2
,
4
;
Xinsheng YAO
5
;
Jinshan TANG
6
Author Information
1. Institute of Traditional Chinese Medicine and Natural Products, College of Pharmacy/Guangdong Province Key Laboratory of Pharmacodynamic Constituents of Traditional Chinese Medicine and New Drug Research/International Cooperative Laboratory of Traditional Chinese Medicine Modernization and Innovative Drug Development of Ministry of Education (MOE) of China, Jinan University, Guangzhou 510632, China.
2. State Key Laboratory of Core Technology in Innovative Chinese Medicine, Tasly Pharmaceutical Group Co., Ltd., Tianjin 300410, China
3. Tasly Pharmaceutical Group Co., Ltd., Tianjin 300410, China.
4. Tasly Pharmaceutical Group Co., Ltd., Tianjin 300410, China. Electronic address: heyi@tasly.com.
5. Institute of Traditional Chinese Medicine and Natural Products, College of Pharmacy/Guangdong Province Key Laboratory of Pharmacodynamic Constituents of Traditional Chinese Medicine and New Drug Research/International Cooperative Laboratory of Traditional Chinese Medicine Modernization and Innovative Drug Development of Ministry of Education (MOE) of China, Jinan University, Guangzhou 510632, China. Electronic address: tyaoxs@jnu.edu.cn.
6. Institute of Traditional Chinese Medicine and Natural Products, College of Pharmacy/Guangdong Province Key Laboratory of Pharmacodynamic Constituents of Traditional Chinese Medicine and New Drug Research/International Cooperative Laboratory of Traditional Chinese Medicine Modernization and Innovative Drug Development of Ministry of Education (MOE) of China, Jinan University, Guangzhou 510632, China. Electronic address: gztangjinshan@126.com.
- Publication Type:Journal Article
- Keywords:
Chang-Kang-Fang;
Chemical profile;
Metabolites profile;
Molecular docking;
Network pharmacology;
UPLC-Q-TOF/MS
- MeSH:
Humans;
Tandem Mass Spectrometry/methods*;
Irritable Bowel Syndrome/drug therapy*;
Molecular Docking Simulation;
Drugs, Chinese Herbal/chemistry*;
Glycosides;
Chromatography, High Pressure Liquid/methods*
- From:
Chinese Journal of Natural Medicines (English Ed.)
2023;21(6):459-480
- CountryChina
- Language:English
-
Abstract:
Chang-Kang-Fang (CKF) formula, a Traditional Chinese Medicine (TCM) prescription, has been widely used for the treatment of irritable bowel syndrome (IBS). However, its potential material basis and underlying mechanism remain elusive. Therefore, this study employed an integrated approach that combined ultra-performance liquid chromatography-quadrupole time-of-flight mass spectrometry (UPLC-Q/TOF-MS) with network pharmacology to systematically characterize the phytochemical components and metabolites of CKF, as well as elucidating its underlying mechanism. Through this comprehensive analysis, a total of 150 components were identified or tentatively characterized within the CKF formula. Notably, six N-acetyldopamine oligomers from CicadaePeriostracum and eight resin glycosides from Cuscutae Semen were characterized in this formula for the first time. Meanwhile, 149 xenobiotics (58 prototypes and 91 metabolites) were detected in plasma, urine, feces, brain, and intestinal contents, and the in vivo metabolic pathways of resin glycosides were elaborated for the first time. Furthermore, network pharmacology and molecular docking analyses revealed that alkaloids, flavonoids, chromones, monoterpenes, N-acetyldopamine dimers, p-hydroxycinnamic acid, and Cus-3/isomer might be responsible for the beneficial effects of CKF in treating IBS, and CASP8, MARK14, PIK3C, PIK3R1, TLR4, and TNF may be its potential targets. These discoveries offer a comprehensive understanding of the potential material basis and clarify the underlying mechanism of the CKF formula in treating IBS, facilitating the broader application of CKF in the field of medicine.
