基于网络药理学和分子对接分析野黄芩苷抗卵泡闭锁的作用机制

doi:10.16431/j.cnki.1671-7236.2023.06.042

Abstract

Abstract: 【Objective】 Based on the method of network pharmacology and molecular docking, the mechanism of scutellarin against follicular atresia was investigated to screen the mechanism of scutellarin against zearalenone (ZEA)-induced granulosa cell damage.【Method】 The databases of PharmMapper, TCMSP, SymMap and GeneCards were used to obtain the target of scutellarin for anti-follicular atresia.The target protein interaction network diagram was constructed using Cytoscape v 3.7.2 software and the key targets were screened.DAVID database was used to analyze GO function and KEGG pathway enrichment of targets, and construct drug-targets-pathway network diagram.AutoDock Tools 1.5.6 software was used for molecular docking verification.【Result】 34 intersection targets were obtained, and 9 core targets were screened, including insulin-like growth factor 1 receptor (IGF1R), mitogen-activated protein kinase 3 (MAPK3), angiotensinogen (AGT), G1/S-specific cyclin-D1 (CCND1), fibronectin 1 (FN1), tumor necrosis factor(TNF), caspase-3 (CASP3), neurogenic locus notch homolog protein 1 (NOTCH1) and interleukin 6 (IL6).GO function enrichment analysis obtained 264 biological processe including regulation of gene expression, positive regulation of cell proliferation, and negative regulation of apoptosis, 25 cellular component including mitochondria, endoplasmic reticulum and cytoplasm, and 23 molecular function including growth factor activity, protein binding and extracellular matrix structure constitute.By KEGG pathway enrichment analysis, 115 related pathways such as cancer pathway, IL17 signaling pathway, PI3K-Akt signaling pathway were obtained.The results of molecular docking verification showed that the affinity of scutellarin with 9 core target proteins was <0 kJ/mol, indicating that the protein could spontaneously bind with scutellarin.【Conclusion】 Scutellarin might antagonize follicular atresia through multiple targets and pathways, which was a candidate research approach for the mechanism of scutellarin's anti ZEA induced granulosa cell injury.

Key words: network pharmacology; molecular docking; scutellarin; follicular atresia

CLC Number:

S859.7

ZHANG Xinyue, SUN Na, SUN Panpan, ZHANG Hua, FAN Kuohai, YIN Wei, SUN Yaogui, LI Hongquan. Mechanism of Scutellarin Against Follicular Atresia Based on Network Pharmacology and Molecular Docking[J]. China Animal Husbandry and Veterinary Medicine, 2023, 50(6): 2585-2593.

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Mechanism of Scutellarin Against Follicular Atresia Based on Network Pharmacology and Molecular Docking

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