4.7 Article

Prediction of the mechanism of Dachengqi Decoction treating colorectal cancer based on the analysis method of into serum components -action target-key pathway

Journal

JOURNAL OF ETHNOPHARMACOLOGY
Volume 293, Issue -, Pages -

Publisher

ELSEVIER IRELAND LTD
DOI: 10.1016/j.jep.2022.115286

Keywords

Dachengqi decoction; Prototype ingredients; Colorectal cancer; Network pharmacological analysis method; Action mechanism; Molecular docking

Funding

  1. National Natural Science Foundation of China [81861168037,81830110,81903847]

Ask authors/readers for more resources

This study explored the main constituents and potential targets of Dachengqi Decoction (DCQ) in the treatment of colorectal cancer (CRC) using serum pharmacochemistry and network pharmacology. The results showed that flavonoids and anthraquinones were the main active substances of DCQ, which may exert anti-tumor effects by regulating targets such as MAPK, IL-6, and VEGF, as well as pathways including PI3K-AKT signaling pathway, AGE-RAGE signaling pathway, and IL-17 signaling pathway.
Ethnopharmacological relevance: Colorectal cancer (CRC) is a common digestive tract malignant tumor that its morbidity and mortality seriously affect human health. At present, Dachengqi Decoction (DCQ), a traditional Chinese medicine formula, has been clinically used as an adjuvant therapy for CRC. However, pharmacodynamic substance basis and therapeutic mechanism are still unclear. Aim of the study: The main constituents absorbed in the blood and possible active targets after DCQ administration were explored based on the analysis method of into serum components, action target and key pathway, which may provide reference for the study of the pharmacodynamic material basis and action mechanism of Dachengqi Decoction in the treatment of CRC. Material and methods: Based on the serum pharmacochemistry of traditional Chinese medicine (TCM), the prescription prototype ingredients of DCQ in mice serum samples were identified by ultra-performance liquid chromatography-quadrupole time-of-flight mass spectrometry technology (UPLC-Q-TOF-MSE). Taking the prototype ingredients absorbed into serum as the research object, the possible targets and key pathways of DCQ in vivo were demonstrated by network pharmacology. Finally, using molecular docking verified the binding activity of prototype components and potential action targets. Results: A total of 46 prototype components of DCQ were identified in mice serum, most of which were derived from flavonoids and anthraquinones in Citrus aurantium L. and Rheum palmatum L. Network pharmacology prediction results indicated that the drug prototype components entering the serum may mainly regulate targets including mitogen-activated protein kinase (MAPK), interleukin-6 (IL-6), vascular endothelial growth factor (VEGF), etc. and main pathways such as (phosphatidylinositol 3-kinase/protein kinase B) PI3K-AKT signaling pathway, advanced glycation end products-receptor for AGE (AGE-RAGE) signaling pathway and IL-17 signaling pathway, etc. Molecular docking showed that the prototype active components had strong binding activity to VEGF, Harvey rat sarcoma viral oncogene homolog (HRAS) and MAPK1. Conclusions: This study elucidated that most of the direct acting substances of DCQ in vivo were flavonoids and anthraquinones, which may play a role in regulating cell reproduction and apoptosis and inhibiting inflammation, providing a reference for the research of pharmacodynamic material basis and mechanism of DCQ in the treatment of CRC.

Authors

I am an author on this paper
Click your name to claim this paper and add it to your profile.

Reviews

Primary Rating

4.7
Not enough ratings

Secondary Ratings

Novelty
-
Significance
-
Scientific rigor
-
Rate this paper

Recommended

No Data Available
No Data Available