Identification of potential targets of chrysin in treating HSV-1 infection: a network pharmacology study

Abstract

Object

To study the potential molecular mechanism of chrysin in treating HSV-1 based on network pharmacology.

Methods

The targets of chrysin were predicted using the SEA, Swiss, and PharmMapper databases, and HSV-1 infection-related genes were identified from the NCBI and Genecard databases. A protein-protein interaction (PPI) network was constructed using Cytoscape 3.9.1 with these genes, followed by GO enrichment and KEGG pathway analyses. Molecular docking was employed to analyze the interaction sites using the AutoDock Vina algorithm.

Results

Network pharmacology analysis identified 178 potential targets associated with chrysin treatment of HSV. Moreover, 2029 HSV-1-related genes were identified, 43 of which were overlapped with chrysin treatment targets. Additionally, 358 GO entries were identified, encompassing 255 biological processes (BP), 38 molecular functions (MF), and 65 cell components (CC). Molecular docking simulations were conducted to assess the binding affinity between chrysin and the predicted hub genes (SRC, VEGFA, EGFR, PTGS2, CDK1, AR, PARP1, and ABL1).

Conclusion

In this study, a potential molecular target of chrysin action in combating HSV-1 infection was identified, offering a novel approach to enhancing the antiviral effectiveness in patients with HSV-1 infection.

Keywords

Chrysin / HSV-1 / Network pharmacology / Molecular docking

Funding

Shenzhen Medical Research Found(A2303015)

Pearl River Talent Project of Guangdong Province(2021QN02Y426)

Shenzhen Peacock Plan http://dx.doi.org/10.13039/501100012234(827/000655)