关键词: Cap Lactobacillus acidophilus PCV2 Rep high-throughput molecular docking non-target metabolomics

来  源:   DOI:10.3389/fmicb.2024.1416235   PDF(Pubmed)

Abstract:
Our previous studies have revealed that L. acidophilus possesses inhibitory effects on PCV2 proliferation in vivo, although the underlying mechanisms remain elusive. Probiotics like L. acidophilus are known to exert antiviral through their metabolites. Therefore, in this study, non-targeted metabolomics was used to detect the changes in metabolites of L. acidophilus 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 L. acidophilus adding credence to the idea that L. acidophilus may exert pharmacological effects through its metabolites. These results will provide a foundation for the study of L. acidophilus.
摘要:
我们以前的研究表明,嗜酸乳杆菌在体内对PCV2增殖具有抑制作用,尽管潜在的机制仍然难以捉摸。已知益生菌如嗜酸乳杆菌通过其代谢物发挥抗病毒作用。因此,在这项研究中,非靶向代谢组学用于检测嗜酸乳杆菌增殖24h后代谢产物的变化。随后,高通量分子对接用于分析这些代谢物与PCV2Cap和Rep的对接得分,旨在鉴定具有潜在抗PCV2作用的化合物。结果表明,128种化合物如Dl-乳酸盐显著增加。高通量分子对接的结果表明,麦戈司汀等化合物,和替米沙坦与Cap和Rep形成复合物,表明它们潜在的抗PCV2特性。此外,像维生素C这样的化合物,表现出与嗜酸乳杆菌一致的药理作用,这增加了嗜酸乳杆菌可能通过其代谢产物发挥药理作用的想法。这些结果将为嗜酸乳杆菌的研究奠定基础。
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