A bioinformatics investigation into molecular mechanism of Yinzhihuang granules for treating hepatitis B by network pharmacology and molecular docking verification

Yinzhihuang granules (YZHG) is a patented Chinese medicine for the treatment of hepatitis B. This study aimed to investigate the intrinsic mechanisms of YZHG in the treatment of hepatitis B and to provide new evidence and insights for its clinical application. The chemical compounds of YZHG were sea...

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Autores principales: Zhang, Jingyuan, Liu, Xinkui, Zhou, Wei, Cheng, Guoliang, Wu, Jiarui, Guo, Siyu, Jia, Shanshan, Liu, Yingying, Li, Bingbing, Zhang, Xiaomeng, Wang, Miaomiao
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group UK 2020
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7351787/
https://www.ncbi.nlm.nih.gov/pubmed/32651427
http://dx.doi.org/10.1038/s41598-020-68224-7
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author Zhang, Jingyuan
Liu, Xinkui
Zhou, Wei
Cheng, Guoliang
Wu, Jiarui
Guo, Siyu
Jia, Shanshan
Liu, Yingying
Li, Bingbing
Zhang, Xiaomeng
Wang, Miaomiao
author_facet Zhang, Jingyuan
Liu, Xinkui
Zhou, Wei
Cheng, Guoliang
Wu, Jiarui
Guo, Siyu
Jia, Shanshan
Liu, Yingying
Li, Bingbing
Zhang, Xiaomeng
Wang, Miaomiao
author_sort Zhang, Jingyuan
collection PubMed
description Yinzhihuang granules (YZHG) is a patented Chinese medicine for the treatment of hepatitis B. This study aimed to investigate the intrinsic mechanisms of YZHG in the treatment of hepatitis B and to provide new evidence and insights for its clinical application. The chemical compounds of YZHG were searched in the CNKI and PUBMED databases, and their putative targets were then predicted through a search of the SuperPred and Swiss Target Prediction databases. In addition, the targets of hepatitis B were obtained from TTD, PharmGKB and DisGeNET. The abovementioned data were visualized using Cytoscape 3.7.1, and network construction identified a total of 13 potential targets of YZHG in the treatment of hepatitis B. Molecular docking verification showed that CDK6, CDK2, TP53 and BRCA1 might be strongly correlated with hepatitis B treatment. Furthermore, GO and KEGG analyses indicated that the treatment of hepatitis B by YZHG might be related to positive regulation of transcription, positive regulation of gene expression, the hepatitis B pathway and the viral carcinogenesis pathway. Network pharmacology intuitively shows the multicomponent, multitarget and multichannel pharmacological effects of YZHG in the treatment of hepatitis B and provides a scientific basis for its mechanism of action.
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spelling pubmed-73517872020-07-14 A bioinformatics investigation into molecular mechanism of Yinzhihuang granules for treating hepatitis B by network pharmacology and molecular docking verification Zhang, Jingyuan Liu, Xinkui Zhou, Wei Cheng, Guoliang Wu, Jiarui Guo, Siyu Jia, Shanshan Liu, Yingying Li, Bingbing Zhang, Xiaomeng Wang, Miaomiao Sci Rep Article Yinzhihuang granules (YZHG) is a patented Chinese medicine for the treatment of hepatitis B. This study aimed to investigate the intrinsic mechanisms of YZHG in the treatment of hepatitis B and to provide new evidence and insights for its clinical application. The chemical compounds of YZHG were searched in the CNKI and PUBMED databases, and their putative targets were then predicted through a search of the SuperPred and Swiss Target Prediction databases. In addition, the targets of hepatitis B were obtained from TTD, PharmGKB and DisGeNET. The abovementioned data were visualized using Cytoscape 3.7.1, and network construction identified a total of 13 potential targets of YZHG in the treatment of hepatitis B. Molecular docking verification showed that CDK6, CDK2, TP53 and BRCA1 might be strongly correlated with hepatitis B treatment. Furthermore, GO and KEGG analyses indicated that the treatment of hepatitis B by YZHG might be related to positive regulation of transcription, positive regulation of gene expression, the hepatitis B pathway and the viral carcinogenesis pathway. Network pharmacology intuitively shows the multicomponent, multitarget and multichannel pharmacological effects of YZHG in the treatment of hepatitis B and provides a scientific basis for its mechanism of action. Nature Publishing Group UK 2020-07-10 /pmc/articles/PMC7351787/ /pubmed/32651427 http://dx.doi.org/10.1038/s41598-020-68224-7 Text en © The Author(s) 2020 Open Access This article is licensed under a Creative Commons Attribution 4.0 International License, which permits use, sharing, adaptation, distribution and reproduction in any medium or format, as long as you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons license, and indicate if changes were made. The images or other third party material in this article are included in the article’s Creative Commons license, unless indicated otherwise in a credit line to the material. If material is not included in the article’s Creative Commons license and your intended use is not permitted by statutory regulation or exceeds the permitted use, you will need to obtain permission directly from the copyright holder. To view a copy of this license, visit http://creativecommons.org/licenses/by/4.0/.
spellingShingle Article
Zhang, Jingyuan
Liu, Xinkui
Zhou, Wei
Cheng, Guoliang
Wu, Jiarui
Guo, Siyu
Jia, Shanshan
Liu, Yingying
Li, Bingbing
Zhang, Xiaomeng
Wang, Miaomiao
A bioinformatics investigation into molecular mechanism of Yinzhihuang granules for treating hepatitis B by network pharmacology and molecular docking verification
title A bioinformatics investigation into molecular mechanism of Yinzhihuang granules for treating hepatitis B by network pharmacology and molecular docking verification
title_full A bioinformatics investigation into molecular mechanism of Yinzhihuang granules for treating hepatitis B by network pharmacology and molecular docking verification
title_fullStr A bioinformatics investigation into molecular mechanism of Yinzhihuang granules for treating hepatitis B by network pharmacology and molecular docking verification
title_full_unstemmed A bioinformatics investigation into molecular mechanism of Yinzhihuang granules for treating hepatitis B by network pharmacology and molecular docking verification
title_short A bioinformatics investigation into molecular mechanism of Yinzhihuang granules for treating hepatitis B by network pharmacology and molecular docking verification
title_sort bioinformatics investigation into molecular mechanism of yinzhihuang granules for treating hepatitis b by network pharmacology and molecular docking verification
topic Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7351787/
https://www.ncbi.nlm.nih.gov/pubmed/32651427
http://dx.doi.org/10.1038/s41598-020-68224-7
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