China Animal Husbandry and Veterinary Medicine ›› 2023, Vol. 50 ›› Issue (9): 3842-3852.doi: 10.16431/j.cnki.1671-7236.2023.09.040

• Basic Veterinary Medicine • Previous Articles     Next Articles

Exploring of the Mechanism of Traditional Chinese Medicine Compounds in Preventing and Treating Dairy Cows Mastitis Based on Network Pharmacology and Molecular Docking

WANG Chao, GONG Zhiguo, LIU Xinyu, ZHAO Jiamin, YANG Xiaolin, WANG Yu, YU Zhuoya, BAI Yunjie, CAO Jinshan, LIU Bo, ZHANG Shuangyi, MAO Wei, GAO Ruifeng   

  1. College of Veterinary Medicine, Inner Mongolia Agricultural University, Hohhot 010018, China
  • Received:2023-03-01 Online:2023-09-05 Published:2023-08-24

Abstract: 【Objective】 The traditional Chinese medicine compound (TCM) of Taraxacum mongolicum,Forsythiae fructus and Lonicera japonica Thunb.was analyzed by network pharmacology and molecular docking technology,and the role of the compound in preventing and treating dairy cows mastitis was explored.【Method】 The main chemical components and principal components of TCM compound of Taraxacum mongolicum,Forsythiae fructus and Lonicera japonica Thunb.were mined through TCMSP and HERB databases.The intersection of the main chemical components and component-related targets were obtained with GeneCards and DisGeNET to find the critical targets for treatment mastitis in dairy cows,and the protein-protein interaction (PPI) network was constructed.The GO function and KEGG pathway enrichment analysis were carried out by the DAVID database.Molecular docking was carried out by AutoDock software,and the molecular results were visualized by PyMOL.【Result】 The active ingredients of TCM compound mainly included kaempferol,aesculin,quercetin,coumarin,etc.The main targets of these drug ingredients were 370,and 216 were related with dairy cow mastitis.This TCM had 32 prediction targets for dairy cow mastitis,mainly including interleukin 6 (IL6),chemokine 8 (CXCL8),signal transduction and transcription activator 3 (STAT3),epidermal growth factor receptor (EGFR),tumor suppressor gene (TP53),and Toll-like receptor 4 (TLR4).Enrichment analysis of the above 32 targets found that they were related to biological processes such as forward regulation of RNA polymerase Ⅱ promoter transcription and forward regulation of IL10 production,cell components such as nucleus,cytoplasm,extracellular space,molecular functions such as cytokine activity,growth factor activity and receptor connection,and phosphatidylinositol 3-kinase/protein kinase B pathway (P13K-Akt),hypoxia inducible factor-1 (HIF-1),cancer and other pathways.The results of molecular docking showed that kaempferol and quercetin,the main active components of the TCM compound,had excellent binding activity with the key targets CXCL8 and EGFR.【Conclusion】 The TCM compound of Taraxacum mongolicum,Forsythiae fructus and Lonicera japonica Thunb.could treatment dairy cow mastitis through multiple components,targets and pathways.This study provided a theoretical basis for the veterinary clinical application of the TCM compound in treatment dairy cow mastitis.

Key words: Chinese medicine compound; network pharmacology; molecular docking; dairy cow mastitis; action mechanism

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