Abstract
Background Hyssopus cuspidatus Boriss. (Shen Xiang Cao (SXC)), a traditional medicine herb in Xinjiang, has a long history of being used by minorities to treat asthma. However, its active antiasthmatic compounds and underlying mechanism of action are still unknown. The aim of this study was to investigate the bioactive compounds and explore the molecular mechanism of SCX in the treatment of asthma using network pharmacology. Methods The compounds of SCX were collected by a literature search, and Traditional Chinese Medicine Systems Pharmacology Database and Analysis Platform (TCMSP) and SwissTargetPrediction were used to predict targets and screen active compounds. Moreover, asthma-related targets were obtained based on DisGeNET, Herb, and GeneCards databases, and a protein-protein interaction (PPI) network was built by the STRING database. Furthermore, the topological analysis of the PPI and SXC-compound-target networks were analyzed and established by Cytoscape software. Finally, the RStudio software package was used for carrying out Gene Ontology (GO) function enrichment and Kyoto Encyclopedia of Genes and Genomes (KEGG) pathway analysis. AutoDock tools and AutoDock Vina were used to molecularly dock the active compounds and key targets. Results A total of 8 active compounds and 258 potential targets related to SXC were predicted, and PPI network screened out key targets, including IL-6, JUN, TNF, IL10, and CXCL8. GO enrichment analysis involved cell responses to reactive oxygen species, oxidative stress, chemical stress, etc. In addition, KEGG pathway analysis showed that SXC effectively treated asthma through regulation of mitogen-activated protein kinases (MAPK) signaling pathways, interleukin 17 (IL-17) signaling pathways, toll-like receptor (TLR) signaling pathways, and tumor necrosis factor (TNF) signaling pathways. Conclusion The preliminary study that was based on multiple compounds, multiple targets, and multiple pathways provides a scientific basis for further elucidating the molecules involved and the underlying antiasthma-related mechanisms of SXC.
Highlights
Asthma is a type of respiratory tract allergic inflammatory disease in which mast cells and airway epithelial cell dysfunction play an important role [1, 2]. e predominant clinical symptoms of asthma include chest tightness, coughing, wheezing, and shortness of breath [3]
It is widely believed that the balances of 1/ 2 and TH17/Treg play an important role in the pathogenesis of asthma. [10]. 2 cells can release various cytokines, such as IL-4, IL-5, and IL-13. ese Evidence-Based Complementary and Alternative Medicine cytokines could drive the recruitment of eosinophil cells to accumulate in the lung [11]. e cytokine, IFN-c, produced by 1 cells can inhibit 2 cell proliferation, induce eosinophil apoptosis, and antagonize the inflammatory factor [12]. 17 produces various cytokines including interleukin 17 (IL-17), IL-6, and tumor necrosis factor (TNF)-α [13]
In order to obtain more targets, simplified molecular input line entry specification (SMILES) information of bioactive compounds was obtained from the PubChem database and we imported SMILES information into the SwissTargetPrediction platform, and the attribution was set as “homo sapiens” and probability ≥0.4 to collect the target of the compound
Summary
Asthma is a type of respiratory tract allergic inflammatory disease in which mast cells and airway epithelial cell dysfunction play an important role [1, 2]. e predominant clinical symptoms of asthma include chest tightness, coughing, wheezing, and shortness of breath [3]. TNF-α is a key inflammatory mediator that is produced by macrophages It is a regulatory factor in the immune response and in cell proliferation and differentiation [14]. A total of 8 active compounds and 258 potential targets related to SXC were predicted, and PPI network screened out key targets, including IL-6, JUN, TNF, IL10, and CXCL8. KEGG pathway analysis showed that SXC effectively treated asthma through regulation of mitogen-activated protein kinases (MAPK) signaling pathways, interleukin 17 (IL-17) signaling pathways, toll-like receptor (TLR) signaling pathways, and tumor necrosis factor (TNF) signaling pathways. E preliminary study that was based on multiple compounds, multiple targets, and multiple pathways provides a scientific basis for further elucidating the molecules involved and the underlying antiasthma-related mechanisms of SXC Conclusion. e preliminary study that was based on multiple compounds, multiple targets, and multiple pathways provides a scientific basis for further elucidating the molecules involved and the underlying antiasthma-related mechanisms of SXC
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