Exploring the mechanism of action Xianlingubao Prescription in the treatment of osteoporosis by network pharmacology. (April 2020)

• Record Type: Journal Article
• Authors: Zhu, Naiqiang; Hou, Jingyi
• Is Part Of: Computational biology and chemistry. Volume 85(2020)
• Publication Date: 2020-04
• Subjects: ADME adsorption distribution, metabolism, and excretion -- AR androgen receptor -- BP biological processes -- CC cellular components -- CM Chinese Medicine -- DL drug-likeness -- GO Gene Ontology -- KEGG Kyoto Encyclopedia of Genes and Genomes -- OB oral bioavailability -- OP osteoporosis -- PPI protein-protein interaction -- SEA similarity ensemble approach database -- TCM Traditional Chinese medicine -- TCMSP Traditional Chinese Medicine Systems Pharmacology Database and Analysis Platform -- XLGB Xianlinggubao Prescription; Network pharmacology -- Osteoporosis -- Biological mechanism -- Xianlinggubao prescription -- Hub gene -- Molecular docking; Chemistry -- Data processing -- Periodicals; Biology -- Data processing -- Periodicals; Biochemistry -- Data processing; Biology -- Data processing; Molecular biology -- Data processing; Periodicals; Electronic journals; 542.85
• DOI: 10.1016/j.compbiolchem.2020.107240
• Languages: English
• ISSNs: 1476-9271

Abstract

Graphical abstract: Highlights: Identify bioactive components and targets of Xianlinggubao (XLGB); Seek common targets for XLGB against Osteoporosis; Understand the underlying action mechanisms of the common targets. Abstract: In this study, the network pharmacology analysis method was used to explore the bioactive components and targets of Xianlinggubao (XLGB) and further elucidate its potential biological mechanisms of action in the treatment of osteoporosis (OP). The bioactive compounds and predictive targets of XLGB were collected from the traditional Chinese medicine systems pharmacology databases and analysis platform(TCMSP), the Encyclopeida of traditional Chinese medicine (ETCM), traditional Chinese medicine Databse@Taiwan, ChEMBL, STITCH, and SymMap database. The targets corresponding to OP were obtained by using Online Mendelian Inheritance in Man® (OMIM), GeneCards, the National Center for Biotechnology Information-Gene database. The XLGB-OP targets were obtained by intersecting with the targets of XLGB and OP. Protien-Protien interaciton (PPI) network was constructed using STRING online database and analyzed using Cytoscape 3.7.0 software to screen out hub genes. Gene ontology (GO) and KEGG enrichment analysis of the target in the PPI network was conducted using the ClusterProfiler package in R with adjusted p-value <0.05. A total of 65 XLGB bioactive compounds were screened corresponding to 776 XLGB targets and 2556 OP targets. The GO analysis and KEGG enrichment analyses suggested XLGB played a therapeutic roles in OP treatment via the interleukin-17 signaling pathway, hypoxia-inducible factor-1 signaling pathway, insulin resistance, Th-17 signaling pathway, etc. Five hub genes (AKT1, MAPK1, MAPK8, TP53, and STAT3) were screened using the degree algorithm, and molecular docking stimulation results showed that most bioactive compounds of XLGB had strong binding efficiency with hub genes. Overall, this study laid the foundation for further in vivo and in vitro experimental research and expanded the clinical applications of XLGB.