基于网络药理学探讨金荞麦抗呼吸道合胞病毒作用机制

doi:10.3976/j.issn.1002-4026.2022.04.005

Abstract

Abstract:

The core ingredients and targets of Fagopyri Dibotryis Rhizoma against respiratory syncytial virus (RSV) were screened using network pharmacology and verified via gene chip mining and molecular docking. The core ingredients were screened using the traditional Chinese medicine systems pharmacology database(TCMSP), targets of the core ingredients were predicted using SwissTargetPrediction, and targets of pneumonia-causing RSV were obtained using GeneCards, GenCLiP 3, and National Center for Biotechnology Information database. The intersection target network was generated via target mapping, and the protein-protein interaction (PPI) network and core enrichment Kyoto encyclopedia of genes and genomes (KEGG) pathway were constructed through STRING and DAVID platforms to obtain the core targets and pathways. Gene expression omnibus chip data mining and AutoDock Vina molecular docking were used to verify the effectiveness of the core targets. Fifteen components of Fagopyri Dibotryis Rhizoma were screened using TCMSP database. Furthermore, target mapping showed that Fagopyri Dibotryis Rhizoma had 45 targets. Through the comprehensive analysis of PPI network and KEGG pathway, the targets of Fagopyri Dibotryis Rhizoma against RSV were found to be AKT1, VEGFA, PTGS2, SRC, EGFR, KDR, STAT3, BCL2,etc. The results of data mining and molecular docking were basically consistent with the prediction. This study preliminarily predicted the main active components, targets, and related pathways of Fagopyri Dibotryis Rhizoma, which would prove to be beneficial in the treatment of RSV-induced diseases, and laid a good foundation for further revealing its mechanism.

Key words: network pharmacology, molecular docking, targets, respiratory syncytial virus, Fagopyri Dibotryis Rhizoma

CLC Number:

R285.5

DU Hai-tao, WANG Ping, LI Na, HAN Li, DING Jie, HU Ya-nan. The mechanism underlying Fagopyri Dibotryis Rhizoma's action against respiratory syncytial virus using network pharmacology[J].Shandong Science, 2022, 35(4): 28-37.

Figures/Tables 9

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References 34

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NO	英文名	中文名	归类	Mol ID	分子量
01	Quercetin	槲皮素	黄酮	MOL000098	302.25
02	Eriodyctiol	圣草酚	黄酮	MOL002914	288.27
03	Isorhamnetin	异鼠李素	黄酮	MOL000354	316.28
04	Beta-sitosterol	β-谷甾醇	甾体	MOL000358	414.79
05	Sitosterol	谷甾醇	甾体	MOL000359	414.79
06	Procyanidin B1	原花青素B1	黄酮	MOL000004	578.56
07	(+)-Catechin	(+)-儿茶素	黄酮	MOL000492	290.29
08	Digallate	二没食子酸	鞣质	MOL000569	322.24
09	Luteolin	木犀草素	黄酮	MOL000006	286.25
10	Coumaroyltyramine	辣椒碱	酰胺	MOL000631	283.35
11	(-)-Catechin gallate	(-)-儿茶素没食子酸酯	黄酮	MOL006504	442.40
12	3-Methylquercetin	3-甲基槲皮素	黄酮	MOL007280	316.28
13	(-)-Epicatechin	(-)-表儿茶素	黄酮	MOL000073	290.29
14	3,8-dihydroxy-10-methoxy-5-h-isochromeno [4,,3-b]chromen-7-one	3,8-二羟基-10-甲氧基-5-h- 异色烯[4,3-b]色烯-7-酮	黄酮	MOL007301	312.29
15	(-)-catechin	(-)-儿茶素	黄酮	MOL000096	290.29

The mechanism underlying Fagopyri Dibotryis Rhizoma's action against respiratory syncytial virus using network pharmacology

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