Exploring the potential therapeutic targets and molecular mechanisms of mulberry leaves on bovine mastitis based on network pharmacology and molecular docking

Deng Shan; Xiao Lianggui; Qin Liangshan; Zhang Dandan; Lei Zhigang; Huang Ben

doi:10.20154/j.cnki.issn1672-9692.2024.09.003

Abstract：In this study,network pharmacology and molecular docking were used to explore the mechanism of action of active components from mulberry leaves on bovine mastitis.Through the network pharmacological analysis platform(TCMSP),PubChem and Swiss Target Prediction,the effective active components in mulberry leaves and their corresponding target genes were collected,and DisGeNET and GENECARDS were used to find the corresponding target genes of'mastitis1.Cytoscape software and STING database were used to analyze the protein interaction network(PPI)between the active components of mulberry leaves and mastitis.GO and KEGG analysis were performed on the collected target genes.Finally,molecular docking technology was applied to verify the docking between the active components of mulberry leaves and core target genes.The results showed that 29 active components such as tetramethoxybutanol,noril,kaempferol and quercetin in mulberry leaves acted on 673 targets.Among them,Janus kinase 2(JAK2),epidermal growth factor receptor(EGFR),catenin β1(CTNNB1),non-receptor tyrosine kinase(SRC),growth factor receptor binding protein 2(GRB2),Janus kinase 1(JAK1),phosphoinosito-3-kinase regulatory subunit 1(PIK3R1),tyrosine kinase receptor 2(ERBB2),signal sensor and transcriptional activator 3(STAT3),and protein tyrosine phosphatase non-receptor type 11(PTPN11).GO and KEGG analyses showed that these core targets were associated with inflammation.The results of molecular docking showed that chloroensterol and quercetin in mulberry leaves had strong binding ability with JAK2 and EGFR.Studies have shown that mulberry leaves can act on bovine mastitis through several mastities-related targets such as JAK2,EGFR,CTNNB1,and several inflammatory signaling pathways such as nuclear factor kappa-B(NF-κB)and hypoxia inducible factor-1(HIF-1).