China Animal Husbandry and Veterinary Medicine ›› 2023, Vol. 50 ›› Issue (6): 2507-2517.doi: 10.16431/j.cnki.1671-7236.2023.06.035

• Basic Veterinary Medicine • Previous Articles     Next Articles

Potential Mechanisms of Chinese Veterinary Medicine Compound Rukang Granules in the Treatment of Dairy Cow Mastitis Based on Network Pharmacology and Molecular Docking Technology

FAN Yimeng1,2, WEI Yuanyuan1,2, WANG Huiru1,2, GA yu1,2, ZHANG Yannan1,2, ZHAO Qingyu1,2, HAO Zhihui1,2   

  1. 1. Innovation Center of Chinese Veterinary Medicine, College of Veterinary Medicine, China Agricultural University, Beijing 100193, China;
    2. National Center of Technology Innovation for Medicinal Function of Food, National Food and Strategic Reserves Administration, Beijing 100193, China
  • Received:2022-11-24 Online:2023-06-05 Published:2023-05-30

Abstract: 【Objective】 The purpose of this test was to investigate the mechanism of Chinese veterinary medicine compound Rukang granules (RKG) on dairy cow mastitis.【Method】 The effective ingredients and targets of RKG were obtained from the Traditional Chinese Medicine Systems Pharmacology Database and Analysis Platform (TCMSP) database and Encyclopedia of Traditional Chinese Medicine (ETCM) platform.Cytoscape v 3.7.2 was used to construct traditional Chinese medicine-ingredient-target.The targets of dairy cow mastitis were obtained from NCBI, OMIM, GeneCards and MalaCards platform.After comprehensive analysis of the targets of dairy cow mastitis and RKG, protein-protein interaction (PPI) network was constructed, then GO function and KEGG pathway enrichment analysis of core network were performed using DAVID.The molecular docking was used to verify the results of network pharmacology.【Result】 There were 23 active ingredients were found in RKG, such as quercetin, isorhamnetin, kaempferol, etc.49 targets related to dairy cow mastitis, like tumor necrosis factor (TNF), Toll-like receptor 4 (TLR4), interluekin-17A (IL17A), etc.After conducting PPI analysis on Bisogenet plug-in, it was found that there were 77 key targets for the effect of RKG on cow mastitis, involving target tumor protein P53 (TP53) and nuclear factor κB P65 (RELA) and breast cancer gene 1 (BRCA1), etc.GO function enrichment analysis showed that biological process enriched in DNA repair, protein ubiquitination, etc.Molecular function enriched in inubiquitin protein ligase binding and ATP binding.Cell component involved cytosol, cytoplasm and nucleus.KEGG pathway enrichment analysis showed that RKG mainly regulated mitogen-activated protein kinase (MAPK), PI3K-Akt and other signaling pathways.The molecular docking results showed that hydrogen bonds were formed between the ingredients quercetin, kaempferol and isorhamnetin and targets BRCA1, RELA and TP53 with affinity less than -3 kJ/mol, among which RELA had the strongest affinity with the above components.【Conclusion】 Network pharmacological analysis showed that RKG might regulate MAPK signaling pathway, PI3K-Akt signaling pathway by targeting to TP53, MAPK, BRCA1, RELA and other targets through the active ingredients, such as quercetin, kaempferol and isorhamnetin, so as to achieve the treatment of dairy cow mastitis.

Key words: Chinese veterinary medicine compound Rukang granules (RKG); dairy cow mastitis; network pharmacology; molecular docking

CLC Number: