Network Pharmacology and Experimental Validation to Explore the Molecular Mechanisms of Bushen Huoxue for the Treatment of Premature Ovarian Insufficiency

Bushen Huoxue (BSHX) has been applied in clinical traditional Chinese medicine treatment, and has definitive clinical efficacy in the treatment of Premature Ovarian Insufficiency (POI) in China. However, little is known of the underlying mechanism of BSHX. The purpose of this paper is to study the p...

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Autores principales:	Ying Cao, Yue Chen, Peijuan Wang, Jialin Lu, Xuan Han, Jingyao She
Formato:	article
Lenguaje:	EN
Publicado:	Taylor & Francis Group 2021
Materias:	bushen huoxue premature ovarian insufficiency network pharmacology molecular mechanism molecular docking experimental validation Biotechnology TP248.13-248.65
Acceso en línea:	https://doaj.org/article/72961efa2e264f698608279df808953b
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spelling	oai:doaj.org-article:72961efa2e264f698608279df808953b2021-11-11T14:23:43ZNetwork Pharmacology and Experimental Validation to Explore the Molecular Mechanisms of Bushen Huoxue for the Treatment of Premature Ovarian Insufficiency2165-59792165-598710.1080/21655979.2021.1996317https://doaj.org/article/72961efa2e264f698608279df808953b2021-11-01T00:00:00Zhttp://dx.doi.org/10.1080/21655979.2021.1996317https://doaj.org/toc/2165-5979https://doaj.org/toc/2165-5987Bushen Huoxue (BSHX) has been applied in clinical traditional Chinese medicine treatment, and has definitive clinical efficacy in the treatment of Premature Ovarian Insufficiency (POI) in China. However, little is known of the underlying mechanism of BSHX. The purpose of this paper is to study the pharmacological mechanisms of BSHX acting on POI based on a pharmacology and experimental validation. The pharmacological database of chinese medicine system and analysis platform (TCMSP) were used to search the effective active ingredients and potential action targets of BSHX. Drugbank, Online Mendelian Inheritance in Man (OMIM), Genecards, and Disgenet databases were used to obtain relevant targets of POI. Gene Ontology (GO) enrichment, Kyoto Encyclopedia of Genes and Genomes (KEGG) pathway enrichment, and the visual network of protein-protein interaction network were constructed by FunRich3.1. Pymol software, and Auto Dock tools 1.5.6 were used for molecular docking. Murine model of POI was used to further investigate the mechanism of BSHX against on POI. Finally, 127 active compounds were collected from TCMSP database, and 215 active targets were identified. There were 1366 targets related to POI and 99 targets of BSHX for the treatment of POI. Quercetin, kaempferol, and stigmasterol were recognized as the most effective compounds corresponding to targets. The top three genes according to degree value are TP53, Akt1, and VEGFA. Further, the results of GO and KEGG enrichment analysis revealed that those core targets were mainly enriched on TRAIL and TGF-β receptor signaling. The results of molecular docking showed that stigmasterol had good binding ability to Akt1. Moreover, experimental validation suggests that BSHX significantly Increased the expression of TGF-β1 and Smad2/3, regulating the release of serum sex hormones, which include Follicular stimulating hormone (FSH), Estradiol (E2), and Antimullerin hormone (AMH).Ying CaoYue ChenPeijuan WangJialin LuXuan HanJingyao SheTaylor & Francis Grouparticlebushen huoxuepremature ovarian insufficiencynetwork pharmacologymolecular mechanismmolecular dockingexperimental validationBiotechnologyTP248.13-248.65ENBioengineered, Vol 0, Iss 0 (2021)
institution	DOAJ
collection	DOAJ
language	EN
topic	bushen huoxue premature ovarian insufficiency network pharmacology molecular mechanism molecular docking experimental validation Biotechnology TP248.13-248.65
spellingShingle	bushen huoxue premature ovarian insufficiency network pharmacology molecular mechanism molecular docking experimental validation Biotechnology TP248.13-248.65 Ying Cao Yue Chen Peijuan Wang Jialin Lu Xuan Han Jingyao She Network Pharmacology and Experimental Validation to Explore the Molecular Mechanisms of Bushen Huoxue for the Treatment of Premature Ovarian Insufficiency
description	Bushen Huoxue (BSHX) has been applied in clinical traditional Chinese medicine treatment, and has definitive clinical efficacy in the treatment of Premature Ovarian Insufficiency (POI) in China. However, little is known of the underlying mechanism of BSHX. The purpose of this paper is to study the pharmacological mechanisms of BSHX acting on POI based on a pharmacology and experimental validation. The pharmacological database of chinese medicine system and analysis platform (TCMSP) were used to search the effective active ingredients and potential action targets of BSHX. Drugbank, Online Mendelian Inheritance in Man (OMIM), Genecards, and Disgenet databases were used to obtain relevant targets of POI. Gene Ontology (GO) enrichment, Kyoto Encyclopedia of Genes and Genomes (KEGG) pathway enrichment, and the visual network of protein-protein interaction network were constructed by FunRich3.1. Pymol software, and Auto Dock tools 1.5.6 were used for molecular docking. Murine model of POI was used to further investigate the mechanism of BSHX against on POI. Finally, 127 active compounds were collected from TCMSP database, and 215 active targets were identified. There were 1366 targets related to POI and 99 targets of BSHX for the treatment of POI. Quercetin, kaempferol, and stigmasterol were recognized as the most effective compounds corresponding to targets. The top three genes according to degree value are TP53, Akt1, and VEGFA. Further, the results of GO and KEGG enrichment analysis revealed that those core targets were mainly enriched on TRAIL and TGF-β receptor signaling. The results of molecular docking showed that stigmasterol had good binding ability to Akt1. Moreover, experimental validation suggests that BSHX significantly Increased the expression of TGF-β1 and Smad2/3, regulating the release of serum sex hormones, which include Follicular stimulating hormone (FSH), Estradiol (E2), and Antimullerin hormone (AMH).
format	article
author	Ying Cao Yue Chen Peijuan Wang Jialin Lu Xuan Han Jingyao She
author_facet	Ying Cao Yue Chen Peijuan Wang Jialin Lu Xuan Han Jingyao She
author_sort	Ying Cao
title	Network Pharmacology and Experimental Validation to Explore the Molecular Mechanisms of Bushen Huoxue for the Treatment of Premature Ovarian Insufficiency
title_short	Network Pharmacology and Experimental Validation to Explore the Molecular Mechanisms of Bushen Huoxue for the Treatment of Premature Ovarian Insufficiency
title_full	Network Pharmacology and Experimental Validation to Explore the Molecular Mechanisms of Bushen Huoxue for the Treatment of Premature Ovarian Insufficiency
title_fullStr	Network Pharmacology and Experimental Validation to Explore the Molecular Mechanisms of Bushen Huoxue for the Treatment of Premature Ovarian Insufficiency
title_full_unstemmed	Network Pharmacology and Experimental Validation to Explore the Molecular Mechanisms of Bushen Huoxue for the Treatment of Premature Ovarian Insufficiency
title_sort	network pharmacology and experimental validation to explore the molecular mechanisms of bushen huoxue for the treatment of premature ovarian insufficiency
publisher	Taylor & Francis Group
publishDate	2021
url	https://doaj.org/article/72961efa2e264f698608279df808953b
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Network Pharmacology and Experimental Validation to Explore the Molecular Mechanisms of Bushen Huoxue for the Treatment of Premature Ovarian Insufficiency

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