AUTHOR=Cao Zhigang , Ling Xiaoya , Haseeb Abdul , Sun Panpan , Zhang Hua , Yin Wei , Fan Kuohai , Yang Huizhen , Zhang Zhenbiao , Zhong Jia , Sun Yaogui , Sun Na , Li Hongquan 

TITLE=Analysis of the anti-PCV2 mechanism of Lactobacillus acidophilus based on non-target metabolomics and high-throughput molecular docking

JOURNAL=Frontiers in Microbiology

VOLUME=15

YEAR=2024

URL=https://www.frontiersin.org/journals/microbiology/articles/10.3389/fmicb.2024.1416235

DOI=10.3389/fmicb.2024.1416235

ISSN=1664-302X

ABSTRACT=<p>Our previous studies have revealed that <italic>L. acidophilus</italic> possesses inhibitory effects on PCV2 proliferation <italic>in vivo</italic>, although the underlying mechanisms remain elusive. Probiotics like <italic>L. acidophilus</italic> are known to exert antiviral through their metabolites. Therefore, in this study, non-targeted metabolomics was used to detect the changes in metabolites of <italic>L. acidophilus</italic> after 24 h of proliferation. Subsequently, high-throughput molecular docking was utilized to analyze the docking scores of these metabolites with PCV2 Cap and Rep, aiming to identify compounds with potential anti-PCV2 effects. The results demonstrated that 128 compounds such as Dl-lactate were significantly increased. The results of high-throughput molecular docking indicated that compounds such as ergocristine, and telmisartan formed complexes with Cap and Rep, suggesting their potential anti-PCV2 properties. Furthermore, compounds like vitamin C, exhibit pharmacological effects consistent with <italic>L. acidophilus</italic> adding credence to the idea that <italic>L. acidophilus</italic> may exert pharmacological effects through its metabolites. These results will provide a foundation for the study of <italic>L. acidophilus</italic>.</p>