Network-Pharmacology-Based Study on Active Phytochemicals and Molecular Mechanism of Cnidii Fructus in Treating Colorectal Cancer
- 作者: Wei Z.1, Zhang X.2, Peng A.3, Liu C.4, Pang J.4, Zhang Y.4, Duan X.4
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隶属关系:
- School of Pharmacy, China Pharmaceutical University
- College of Integrated Chinese and Western Medicine, Hebei University of Chinese Medicine
- The Traditional Chinese Medicine Hospital of Shijiazhuang, Shijiazhuang Fourth Hospital
- College of Pharmacy, Hebei University of Chinese Medicine
- 期: 卷 27, 编号 18 (2024)
- 页面: 2667-2680
- 栏目: Chemistry
- URL: https://kazanmedjournal.ru/1386-2073/article/view/644402
- DOI: https://doi.org/10.2174/0113862073273396231010102606
- ID: 644402
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全文:
详细
Aims:Cnidii Fructus (CF) is known for its antibacterial, anti-inflammatory, and antitumor properties, as well as its activities against kidney deficiency and impotence. In this study, we aimed to explore the anti-CRC cancer effect and molecular mechanism of CF via network pharmacology and in vitro antitumor experiments.
Methods:Network pharmacology was used to investigate the anti-CRC mechanism of CF. First, a series of databases was used to screen the active phytochemical targets and anti-CRC core targets. Then, the GO and KEGG pathways were analyzed to predict possible mechanisms. Molecular docking analysis explore core targets-phytochemicals interactions. In vitro antitumor experiments were carried on verifying anti-CRC mechanism of CF.
Results:In this study, 20 active ingredient targets and 50 intersecting targets were analyzed by Cytoscape software 3.9.1 to obtain the core genes and phytochemicals. Then, the GO and KEGG pathways of 50 intersecting targets were analyzed to predict possible mechanisms. The results from GO and KEGG indicated that CF has significant antitumor efficacy, which involves many signaling pathways, such as PI3K/AKT and p53. The five core targets and five core phytochemicals were screened for molecular docking to show protein-ligand interactions. According to the results of molecular docking, the compound O-acetylcolumbianetin was selected for the anti- CRC functional verification in vitro. MTT assay showed that O-acetylcolumbianetin significantly inhibited the proliferation of colorectal HCT116 cells in a time- and quantity-dependent manner. O-acetylcolumbianetin can promote the expression of CASP3 protein, induce HCT116 cells apoptosis, thus exert anti-CRC effect.
Conclusion:This study preliminarily verified the anti-CRC effect and molecular mechanism of CF and provided a reference for Traditional Chinese Medicine anti-tumor subsequent research.
作者简介
Zhihui Wei
School of Pharmacy, China Pharmaceutical University
Email: info@benthamscience.net
Xiaoyun Zhang
College of Integrated Chinese and Western Medicine, Hebei University of Chinese Medicine
Email: info@benthamscience.net
Antang Peng
The Traditional Chinese Medicine Hospital of Shijiazhuang, Shijiazhuang Fourth Hospital
Email: info@benthamscience.net
Chenxu Liu
College of Pharmacy, Hebei University of Chinese Medicine
Email: info@benthamscience.net
Jianying Pang
College of Pharmacy, Hebei University of Chinese Medicine
Email: info@benthamscience.net
Yajing Zhang
College of Pharmacy, Hebei University of Chinese Medicine
编辑信件的主要联系方式.
Email: info@benthamscience.net
Xuhong Duan
College of Pharmacy, Hebei University of Chinese Medicine
编辑信件的主要联系方式.
Email: info@benthamscience.net
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