Exploring the mechanism of Artemisia annua against avian coccidiosis based on network pharmacology and molecular docking

Mao Qianqian; Zhao Zhihong; Cong Mengyi; Wang Luyi; Zhang Zhiyong; Wang Shuang; Zhang Yan; Zhang Zuopeng

doi:10.20154/j.cnki.issn1672-9692.2025.04.001

Abstract：This study aimed to investigate the targets and mechanisms of Artemisia annua against avian coccidiosis using network pharmacology and molecular docking,providing a theoretical basis for the development of Artemisia-based anticoccidial products.Active components of Artemisia annua were screened through the TCMSP,ETCM,and BATMAN-TCM databases.Potential targets were predicted using DrugBank,STITCH,and Swiss Target Prediction.The component-target network was constructed with Cytoscape 3.10.2.Disease targets related to avian coccidiosis were retrieved from OMIM,GeneCards,and PharmGKB using keywords'avian coccidiosis'and'coccidiosis in chicken',followed by deduplication and standardization via UniProt.A protein-protein interaction(PPI)network was established using STRING and Cytoscape,and core targets were identified.GO functional and KEGG pathway enrichment analyses were performed.Molecular docking between core targets and active components was conducted using AutoDockTools 1.5.6,with visualization in PyMOL 3.0.4.Results showed 22 active components and 162 potential targets in Artemisia annua,with 20 overlapping targets associated with anticoccidial effects.GO analysis revealed 32 enriched terms(11 biological processes,11 molecular functions,5 cellular components),and KEGG analysis identified 12 signaling pathways.Molecular docking demonstrated strong binding(binding energy≤-5 kcal/mol)between active components and core targets,primarily mediated by hydrogen bonds and hydrophobic interactions.The results indicate that Artemisia annua may intervene in avian coccidiosis through a multi-component,multi-target-multi-pathway synergistic mechanism,and the strong interaction between its active components and key targets provides a molecular basis for the development of novel anti-coccidiosis preparations.