Study on mechanism and experimental validation of Duzhong Pills against osteoporosis based on network pharmacology and molecular docking
10.3760/cma.j.cn115398-20221205-00079
- VernacularTitle:基于网络药理学和分子对接技术研究杜仲丸抗骨质疏松症的作用机制及实验验证
- Author:
Meijun XU
1
;
Xin YU
;
Zijiang LONG
;
Ya YANG
;
Chunbo OUYANG
;
Feng WANG
Author Information
1. 安徽中医药大学第一临床医学院，合肥 230031
- Keywords:
Osteoporosis;
Duzhong Pills;
Network pharmacology;
Molecular docking simulation;
Molecular mechanisms of pharmacological action (TCD)
- From:
International Journal of Traditional Chinese Medicine
2023;45(11):1391-1398
- CountryChina
- Language:Chinese
-
Abstract:
Objective:To study and verify the molecular mechanism of Duzhong Pills for osteoporosis (OP) by means of network pharmacology and molecular docking.Methods:The main chemical components of Duzhong Pills were mined by TCMSP database and the related targets were predicted. The potential targets of osteoporosis in GeneCards, DisGeNET and OMIM databases were searched and the common targets of both were obtained. The STRING platform was used for protein interaction analysis and PPI network diagram was made. The common targets were imported into the David database for enrichment analysis of GO and KEGG pathways, and molecular docking of the main components and core targets was performed. Eighteen Sprague-Dawley rats were divided into control group, model group and Duzhong Pills group according to random number table method, with 6 rats in each group. Ovariectomy was used to make osteoporosis model in model group and Duzhong Pills group. Duzhong Pills group was intragaxed with Duzhong Pills extract of 5 g/kg, and control group and model group were intragaxed with normal saline of the same volume, once a day for 8 weeks. Serum levels of TNF-α, IL-6 and IL-1β were detected by ELISA, and femur PI3K and Akt were detected by Western blot.Results:34 active components were obtained from Duzhong Pills, corresponding to 243 targets, and 1 059 targets for osteoporosis. The core targets included TNF-α, IL-6, AKT1, TP53, IL-1β and others regulated osteoporosis through PI3K-Akt and TNF pathway. The experimental results indicated that compared with model group, the levels of serum TNF-α, IL-6 and IL-1β in Duzhong Pills group decreased ( P<0.05), and the expressions of PI3K and Akt in femur decreased ( P<0.05). Conclusion:Through β-sitosterol, quercetin, kaempferol and other active components, Duzhong Pills can act on TNF, IL-6, AKT1, TP53, IL-1β and other targets, regulating PI3K-Akt signaling pathway, TNF signaling pathway and other signaling pathways to play a role in the treatment of osteoporosis.
