Identifying the molecular targets and mechanisms of xuebijing injection for the treatment of COVID-19 via network pharmacology and molecular docking

Xuebijing Injection have been found to improve the clinical symptoms of COVID-19 and alleviate disease severity, but the mechanisms are currently unclear. This study aimed to investigate the potential molecular targets and mechanisms of the Xuebijing injection in treating COVID-19 via network pharma...

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Autores principales:	Zhao Tianyu, Guan Liying
Formato:	article
Lenguaje:	EN
Publicado:	Taylor & Francis Group 2021
Materias:	akt1 covid-19 molecular docking network pharmacology xuebijing injection Biotechnology TP248.13-248.65
Acceso en línea:	https://doaj.org/article/3d5615fd13a14deb9e174b06471ffb5b
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spelling	oai:doaj.org-article:3d5615fd13a14deb9e174b06471ffb5b2021-11-17T14:21:59ZIdentifying the molecular targets and mechanisms of xuebijing injection for the treatment of COVID-19 via network pharmacology and molecular docking2165-59792165-598710.1080/21655979.2021.1933301https://doaj.org/article/3d5615fd13a14deb9e174b06471ffb5b2021-01-01T00:00:00Zhttp://dx.doi.org/10.1080/21655979.2021.1933301https://doaj.org/toc/2165-5979https://doaj.org/toc/2165-5987Xuebijing Injection have been found to improve the clinical symptoms of COVID-19 and alleviate disease severity, but the mechanisms are currently unclear. This study aimed to investigate the potential molecular targets and mechanisms of the Xuebijing injection in treating COVID-19 via network pharmacology and molecular docking analysis. The main active ingredients and therapeutic targets of the Xuebijing injection, and the pathogenic targets of COVID-19 were screened using the TCMSP, UniProt, and GeneCard databases. According to the ‘Drug-Ingredients-Targets-Disease’ network built by STRING and Cytoscape, AKT1 was identified as the core target, and baicalein, luteolin, and quercetin were identified as the active ingredients of the Xuebijing injection in connection with AKT1. R language was used for enrichment analysis that predict the mechanisms by which the Xuebijing injection may inhibit lipopolysaccharide-mediated inflammatory response, modulate NOS activity, and regulate the TNF signal pathway by affecting the role of AKT1. Based on the results of network pharmacology, a molecular docking was performed with AKT1 and the three active ingredients, the results indicated that all three active ingredients could stably bind with AKT1. These findings identify potential molecular mechanisms by which Xuebijing Injection inhibit COVID-19 by acting on AKT1.Zhao TianyuGuan LiyingTaylor & Francis Grouparticleakt1covid-19molecular dockingnetwork pharmacologyxuebijing injectionBiotechnologyTP248.13-248.65ENBioengineered, Vol 12, Iss 1, Pp 2274-2287 (2021)
institution	DOAJ
collection	DOAJ
language	EN
topic	akt1 covid-19 molecular docking network pharmacology xuebijing injection Biotechnology TP248.13-248.65
spellingShingle	akt1 covid-19 molecular docking network pharmacology xuebijing injection Biotechnology TP248.13-248.65 Zhao Tianyu Guan Liying Identifying the molecular targets and mechanisms of xuebijing injection for the treatment of COVID-19 via network pharmacology and molecular docking
description	Xuebijing Injection have been found to improve the clinical symptoms of COVID-19 and alleviate disease severity, but the mechanisms are currently unclear. This study aimed to investigate the potential molecular targets and mechanisms of the Xuebijing injection in treating COVID-19 via network pharmacology and molecular docking analysis. The main active ingredients and therapeutic targets of the Xuebijing injection, and the pathogenic targets of COVID-19 were screened using the TCMSP, UniProt, and GeneCard databases. According to the ‘Drug-Ingredients-Targets-Disease’ network built by STRING and Cytoscape, AKT1 was identified as the core target, and baicalein, luteolin, and quercetin were identified as the active ingredients of the Xuebijing injection in connection with AKT1. R language was used for enrichment analysis that predict the mechanisms by which the Xuebijing injection may inhibit lipopolysaccharide-mediated inflammatory response, modulate NOS activity, and regulate the TNF signal pathway by affecting the role of AKT1. Based on the results of network pharmacology, a molecular docking was performed with AKT1 and the three active ingredients, the results indicated that all three active ingredients could stably bind with AKT1. These findings identify potential molecular mechanisms by which Xuebijing Injection inhibit COVID-19 by acting on AKT1.
format	article
author	Zhao Tianyu Guan Liying
author_facet	Zhao Tianyu Guan Liying
author_sort	Zhao Tianyu
title	Identifying the molecular targets and mechanisms of xuebijing injection for the treatment of COVID-19 via network pharmacology and molecular docking
title_short	Identifying the molecular targets and mechanisms of xuebijing injection for the treatment of COVID-19 via network pharmacology and molecular docking
title_full	Identifying the molecular targets and mechanisms of xuebijing injection for the treatment of COVID-19 via network pharmacology and molecular docking
title_fullStr	Identifying the molecular targets and mechanisms of xuebijing injection for the treatment of COVID-19 via network pharmacology and molecular docking
title_full_unstemmed	Identifying the molecular targets and mechanisms of xuebijing injection for the treatment of COVID-19 via network pharmacology and molecular docking
title_sort	identifying the molecular targets and mechanisms of xuebijing injection for the treatment of covid-19 via network pharmacology and molecular docking
publisher	Taylor & Francis Group
publishDate	2021
url	https://doaj.org/article/3d5615fd13a14deb9e174b06471ffb5b
work_keys_str_mv	AT zhaotianyu identifyingthemoleculartargetsandmechanismsofxuebijinginjectionforthetreatmentofcovid19vianetworkpharmacologyandmoleculardocking AT guanliying identifyingthemoleculartargetsandmechanismsofxuebijinginjectionforthetreatmentofcovid19vianetworkpharmacologyandmoleculardocking
_version_	1718425407559041024

Identifying the molecular targets and mechanisms of xuebijing injection for the treatment of COVID-19 via network pharmacology and molecular docking

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