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ORIGINAL RESEARCH article
Front. Vet. Sci.
Sec. Veterinary Infectious Diseases
Volume 11 - 2024 |
doi: 10.3389/fvets.2024.1431233
Molecular mechanism of Dang-Shen-Yu-Xing decoction against Mycoplasma bovis pneumonia based on network pharmacology, molecular docking, molecular dynamics simulations and experimental verification
Provisionally accepted- 1 College of Animal Science and Technology, Ningxia University, China, Ningxia, China
- 2 Institute of Animal Science, Ningxia Academy of Agriculture and Forestry Sciences, Yinchuan, Henan Province, China
- 3 College of Life Science and Technology, Ningxia Polytechnic, Yinchuan, Ningxia, China
- 4 Agricultural and Rural Bureau of Helan County, Yinchuan, Ningxia, China
Mycoplasma bovis pneumonia is a highly contagious respiratory infection caused by Mycoplasma bovis. It is particularly prevalent in calves, posing a significant threat to animal health and leading to substantial economic losses. Dang-Shen-Yu-Xing decoction is often used to treat this condition in veterinary clinics. It exhibits robust anti-inflammatory effects and can alleviate pulmonary fibrosis. However, its mechanism of action remains unclear. Therefore, this study aimed to preliminarily explore the molecular mechanism of Dang-Shen-Yu-Xing decoction for treating mycoplasma pneumonia in calves through a combination of network pharmacology, molecular docking, molecular dynamics simulation methods, and experimental validation. The active components and related targets of Dang-Shen-Yu-Xing decoction were extracted from several public databases. Additionally, complex interactions between drugs and targets were explored through network topology, Gene Ontology, and Kyoto Encyclopedia of Genes and Genomes enrichment analyses. Subsequently, the binding affinity of drug to disease-related targets was verified through molecular docking and molecular dynamics simulation. Finally, the pharmacodynamics were verified via animal experiments. The primary network topology analysis revealed two core targets and 10 key active components of Dang-Shen-Yu-Xing decoction against Mycoplasma bovis pneumonia. Kyoto Encyclopedia of Genes and Genomes enrichment analysis showed that the mechanism of Dang-Shen-Yu-Xing decoction for treating mycoplasma bovis pneumonia involved multiple signaling pathways, with the main pathways including PI3K-Akt and IL17 signaling pathways. Moreover, molecular docking predicted the binding affinity and conformation of the core targets of Dang-Shen-Yu-Xing decoction, IL6, and IL10, with the associated main active ingredients. The results showed a strong binding of the active ingredients to the hub target. Further, molecular docking dynamics simulation revealed three key active components of IL10 induced by Dang-Shen-Yu-Xing decoction against Mycoplasma bovis pneumonia. Finally, animal experiments confirmed Dang-Shen-Yu-Xing decoction pharmacodynamics, suggesting that it holds potential as an alternative therapy for treating mycoplasma bovis pneumonia.
Keywords: Dang-Shen-Yu-Xing decoction, Mycoplasma bovis pneumonia, Network Pharmacology, IL 6, IL 10
Received: 11 May 2024; Accepted: 10 Sep 2024.
Copyright: © 2024 Yang, Yang, Guo, Liu, Li, Qi, Guo and He. This is an open-access article distributed under the terms of the Creative Commons Attribution License (CC BY). The use, distribution or reproduction in other forums is permitted, provided the original author(s) or licensor are credited and that the original publication in this journal is cited, in accordance with accepted academic practice. No use, distribution or reproduction is permitted which does not comply with these terms.
* Correspondence:
Mengmeng Yang, College of Animal Science and Technology, Ningxia University, China, Ningxia, China
Yanan Guo, Institute of Animal Science, Ningxia Academy of Agriculture and Forestry Sciences, Yinchuan, Henan Province, China
Fan Liu, College of Animal Science and Technology, Ningxia University, China, Ningxia, China
Yong Li, College of Life Science and Technology, Ningxia Polytechnic, Yinchuan, Ningxia, China
Yanrong Qi, Agricultural and Rural Bureau of Helan County, Yinchuan, Ningxia, China
Lei Guo, College of Animal Science and Technology, Ningxia University, China, Ningxia, China
Shenghu He, College of Animal Science and Technology, Ningxia University, China, Ningxia, China
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