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Outline
To analyze the molecular mechanism of active components from Forsythia suspensa leaves in intervening non-alcoholic fatty liver disease (NAFLD) based on network pharmacology and molecular docking technology.
The 3 NAFLD datasets (GSE126848, GSE89632, GSE63067) were selected from the gene expression omnibus (GEO) database. With healthy population as the control group and “NAFLD patients” as the experimental group, the limma R package was used to screen differentially expressed genes (DEGs). The active components of Forsythia suspensa leaves were obtained and their targets were predicted. The intersection with DEGs was taken to obtain potential targets. Gene ontology (GO) and kyoto encyclopedia of genes and genomes (KEGG)enrichment analyses were performed to explore cell functions and signaling pathways. A protein-protein interaction(PPI) network was constructed to screen core targets. Molecular docking was conducted via AutoDock Vina, and the molecular interaction mechanism between core targets and components was analyzed online.
A total of 17 kinds of main active components of Forsythia suspensa leaves, 576 DEGs and 61 intersecting targets were obtained.The core targets included intercellular adhesion molecule 1, insulin-like growth factor 1, nitric oxide synthase 3, matrix metalloproteinase 2, etc. The involved signaling pathways included the advanced glycation end products-receptor for advanced glycation end products (AGE-RAGE) signaling pathway in diabetic complications, phosphatidylinositol 3-kinase-protein kinase B (PI3K-Akt) signaling pathway, retinol metabolism, etc. Molecular docking results showed that key components bound tightly to core targets. Among them, rutin had the lowest binding affinity with nitric oxide synthase 3 (NOS3) (–10.9 kcal/mol), involving hydrogen bonds, hydrophobic bonds, π-π stacking and π-cation interactions.
Forsythia suspensa leaves may interfere with the pathological process of NAFLD in multiple dimensions by inhibiting hepatic lipid accumulation, alleviating oxidative stress, reducing chronic inflammation, improving insulin resistance and delaying hepatic fibrosis through a multi-component, multi-target and multi-signaling pathway mode. Core active components such as rutin play an important role in the treatment of NAFLD.
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| 科 Family | 属数 Number of genus | 种数 Number of species | 占总种数比例 Percentage of total species (%) | 属 Genus | 种数 Number of species | 占总种数比例 Percentage of total species (%) |
|---|---|---|---|---|---|---|
| 鹅膏菌科Amanitaceae | 2 | 11 | 5.26 | 鹅膏菌属 Amanita | 10 | 4.78 |
| 小菇科 Mycenaceae | 2 | 12 | 5.74 | 丝盖伞属 Inocybe | 5 | 2.39 |
| 多孔菌科 Polyporaceae | 8 | 14 | 6.70 | 蜡蘑属 Laccaria | 5 | 2.39 |
| 红菇科 Russulaceae | 3 | 23 | 11.00 | 小皮伞属 Marasmius | 6 | 2.87 |
| 小菇属 Mycena | 11 | 5.26 | ||||
| 光柄菇属 Pluteus | 5 | 2.39 | ||||
| 红菇属 Russula | 17 | 8.13 | ||||
| 栓菌属 Trametes | 5 | 2.39 |
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