基于网络药理学探讨苦白石颗粒治疗仔猪细菌性腹泻的作用机制

Exploring the mechanisms of Kubaishi granules for treatment of Piglet diarrhoea and preliminary verification

关键词:  苦白石颗粒  仔猪细菌性腹泻  网络药理学  分子对接  作用机制

Key words:  Kubaishi granules  bacterial piglet diarrhoea  network pharmacology  molecular docking  mechanism

摘要:

[摘要]: 目的 基于网络药理学研究苦白石颗粒治疗仔猪细菌性腹泻的主要化学成分及其作用机理，利用分子对接技术进行初步验证。方法 通过TCMSP和BATMAN数据库检索苦白石颗粒中苦参、白头翁、石榴皮、仙鹤草、肉桂和木香的化学成分，TCMSP数据库获取其潜在靶点，在GEO数据库使用R语言获得仔猪细菌性腹泻的疾病靶点，映射后得到苦白石颗粒治疗仔猪细菌性腹泻的交集靶点，String构建PPI网络并可视化，Cytoscape构建药物-活性成分-交集靶点-疾病网络图，通过Metascape 对交集靶点基因进行GO 富集以及KEGG 通路分析，并对主要活性成分和关键蛋白进行了分子对接。结果 通过数据库检索和文献补充，获得苦白石颗粒88个活性成分以及269个相对应靶点，仔猪细菌性腹泻相关的基因479个，经过映射获得靶点32个。其中潜在活性成分为槲皮素、木犀草素、山奈酚等，关键仔猪腹泻蛋白是肿瘤坏死因子、白介素6和8、金属蛋白酶和表皮生长因子等。KEGG 通路显示苦白石颗粒主要富集在IL-17、 HIF-1等信号通路。分子对接结果显示苦白石颗粒中的主要活性成分与关键蛋白有较好的亲和作用。结论 苦白石颗粒可能主要通过抑制炎症反应，调节免疫细胞因子和直接的抗感染等对仔猪细菌性腹泻发挥潜在的防治作用。

Abstract:

Abstract：Objective Based on the network pharmacology, it is useful to research the main chemical components and mechanism of Kubaishi granules in the treatment of bacterial piglet diarrhea, and the molecular docking technology was used for preliminary verification. Methods The chemical components of Radix sophorae flavescentis, Radix pulsatillae, Pericarpium granati, Herba agrimoniae, Cortex cinnamomic, Radix aucklandiae. and their potential targets were searched through TCSMP database.The disease targets for bacterial piglet diarrhoea were obtained in GEO database. PPI network was constructed by String, and the drug - ingredient - target - disease network was constructed by Cytoscape. The intersection target genes were subjected to go enrichment and KEGG pathway analysis by metascape. The key components and targets were docked by AutoDock Vina. Results The 88 active ingredients and 269 targets of Kubaishi granules, 479 genes related to bacterial diarrhea in piglets, and 32 targets were obtained after mapping.The potential active ingredients were quercetin, luteolin, kaempferol, etc., and the key piglet diarrhea proteins were TNF、VEGFA IL6、IL8、ICAM-1, etc. The KEGG pathway showed that the Kubaishi granules were mainly enriched in IL-17, HIF-1 signaling pathways. The molecular docking results showed that the main active ingredients in the Kubaishi granules had better affinity with the key proteins. Conclusion Kubaishi granules exert potential preventive effects on bacterial piglet diarrhea mainly by inhibiting inflammatory responses, regulating immune cytokines, and direct antiviral infection.