Exploring the mechanism of action of eucommia ulmoides-epimedium-gusuobu prescription in the treatment of osteoporosis based on network pharmacology and molecular docking
WU Peng* LI Sha* SHI Xiaoqing LIAO Taiyang CHEN Jupeng
Department of Orthopedic Surgery, Affiliated Hospital of Nanjing University of Chinese Medicine, Jiangsu Province, Nanjing 210029, China
Abstract：Objective To investigate the mechanism of action of eucommia ulmoides-epimedium-rhizoma drynariae (DYG) in the treatment of osteoporosis (OP) by network pharmacology and molecular docking. Methods The main active components of DYG and their targets were screened by oral bioavailability and drug similarity in Chinese medicine system pharmacological database GeneCard, OMIM, PharmGkb, Therapeutic Targets and DrugBank databases were used to build target databases for OP. The common targets for durgs and diseases were constructed using Venn diagrams. Cytoscape software was used to build a visual traffic network of “DYG active ingredient-action target-osteoporosis”. Protein protein interaction network was constructed by STRING database. GO functional enrichment analysis and KEGG signal pathway analysis were performed on the core targets. Molecular docking was conducted between the active ingredients of DYG and the screened core targets through Discovery Studio 2016. Results At otal of 38 active components and 168 related targets were screened from DYG, there were 4547 targets associated with OP, 11 active ingredients-key targets of the disease were obtained, the GO enrichment analysis showed that the biological processes were mainly involved in phosphatase binding, amide binding, nuclear receptor activity, etc. KEGG pathway analysis showed that the potential signaling pathways mainly included AGE-RAGE, apoptosis, IL-17, TNF, and other signaling pathways. Molecular docking showed that DYG active components could be well docked with IL-6, EGF, JUN, MAPK8, CXCL8, MMP9, MAPK1 and IL-1β. Conclusion DYG can treat OP with multiple components, pathways and targets. This study provides a theoretical basis and a new direction for the treatment of osteoporosis by DYG.
吴鹏* 李莎* 时孝晴 廖太阳 陈巨鹏. 基于网络药理学和分子对接探讨杜仲-淫羊藿-骨碎补组方治疗骨质疏松症的作用机制[J]. 中国医药导报, 2021, 18(28): 29-34.
WU Peng* LI Sha* SHI Xiaoqing LIAO Taiyang CHEN Jupeng. Exploring the mechanism of action of eucommia ulmoides-epimedium-gusuobu prescription in the treatment of osteoporosis based on network pharmacology and molecular docking. 中国医药导报, 2021, 18(28): 29-34.
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