Research on the mechanism of Atractylodes-Pinellia-Poria in the treatment of pancreatic cancer based on network pharmacology and molecular docking
10.12206/j.issn.2097-2024.202306022
- VernacularTitle:基于网络药理学与分子对接技术对白术-半夏-茯苓配伍治疗胰腺癌作用机制的研究
- Author:
Jirong WANG
1
;
Xiaofei SHI
1
;
Yuhui CHONG
1
;
Lingru JIA
2
;
Xueying WAN
3
;
Ruimin LI
1
Author Information
1. Department of Pharmacy, Naval Medical University, Shanghai 200433, China.
2. Department of Medical Health Service , Wuxi Joint Logistic Support Center, Wuxi 214000, China.
3. Jinghong First People’s Hospital, Xishuang-banna 666100, China.
- Keywords:
network pharmacology;
molecular docking;
Atractylodes-Pinellia-Poria;
pancreatic cancer
- From:
Journal of Pharmaceutical Practice
2023;41(10):616-624
- CountryChina
- Language:Chinese
-
Abstract:
Objective To predict the target of Atractylodes-Panxia-Poria in the treatment of pancreatic cancer, and to explore its potential molecular mechanism by using network pharmacology and molecular docking. Methods Traditional Chinese Medicine Systems Pharmacology Database and Analysis Platform (TCMSP), PharmMapper, OMIM, GeneCards, STRING, DAVID and Cytoscape software were used to construct a series of network diagrams. The core targets and conduct GO analysis and KEGG pathway enrichment analyses of the target genes were selected. Finally, molecular docking verification of key active ingredients and potential targets were conducted by AutoDock software. Results A total of 35 active ingredients, 190 related targets, 1566 targets of pancreatic cancer and 76 intersection targets were screened for the treatment of pancreatic cancer with Atractylodes-Panxia-Poria. These intersection targets were mainly involved in several biological processes, including positive regulation of gene expression, cytokine-mediated signaling pathway and regulation of apoptotic process, etc, which were also related to pathways in cancer, hepatitis B, colorectal cancer, chemical carcinogenesis-receptor activation, pancreatic cancer, and MAPK signaling pathway, etc. Molecular docking results showed that the main active components of Atractylodes-Panxia-Poria had certain affinity with the potential targets of pancreatic cancer. Conclusion Atractylodes-Panxia-Poria mainly exerts a therapeutic effect on pancreatic cancer through multi-component, multi-target and multi-pathway, which provides a certain theoretical basis for the clinical application of Atractylodes -Panxia-Poria in the treatment of pancreatic cancer.
