Network pharmacology and molecular docking study on the active ingredients of qidengmingmu capsule for the treatment of diabetic retinopathy

Abstract Diabetic retinopathy (DR) is a leading cause of irreversible blindness globally. Qidengmingmu Capsule (QC) is a Chinese patent medicine used to treat DR, but the molecular mechanism of the treatment remains unknown. In this study, we identified and validated potential molecular mechanisms i...

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Autores principales:	Mingxu Zhang, Jiawei Yang, Xiulan Zhao, Ying Zhao, Siquan Zhu
Formato:	article
Lenguaje:	EN
Publicado:	Nature Portfolio 2021
Materias:	Medicine R Science Q
Acceso en línea:	https://doaj.org/article/ad0bfaf686bf4882b5d2e134e483b4b9
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spelling	oai:doaj.org-article:ad0bfaf686bf4882b5d2e134e483b4b92021-12-02T14:23:14ZNetwork pharmacology and molecular docking study on the active ingredients of qidengmingmu capsule for the treatment of diabetic retinopathy10.1038/s41598-021-86914-82045-2322https://doaj.org/article/ad0bfaf686bf4882b5d2e134e483b4b92021-04-01T00:00:00Zhttps://doi.org/10.1038/s41598-021-86914-8https://doaj.org/toc/2045-2322Abstract Diabetic retinopathy (DR) is a leading cause of irreversible blindness globally. Qidengmingmu Capsule (QC) is a Chinese patent medicine used to treat DR, but the molecular mechanism of the treatment remains unknown. In this study, we identified and validated potential molecular mechanisms involved in the treatment of DR with QC via network pharmacology and molecular docking methods. The results of Ingredient-DR Target Network showed that 134 common targets and 20 active ingredients of QC were involved. According to the results of enrichment analysis, 2307 biological processes and 40 pathways were related to the treatment effects. Most of these processes and pathways were important for cell survival and were associated with many key factors in DR, such as vascular endothelial growth factor-A (VEGFA), hypoxia-inducible factor-1A (HIF-1Α), and tumor necrosis factor-α (TNFα). Based on the results of the PPI network and KEGG enrichment analyses, we selected AKT1, HIF-1α, VEGFA, TNFα and their corresponding active ingredients for molecular docking. According to the molecular docking results, several key targets of DR (including AKT1, HIF-1α, VEGFA, and TNFα) can form stable bonds with the corresponding active ingredients of QC. In conclusion, through network pharmacology methods, we found that potential biological mechanisms involved in the alleviation of DR by QC are related to multiple biological processes and signaling pathways. The molecular docking results also provide us with sound directions for further experiments.Mingxu ZhangJiawei YangXiulan ZhaoYing ZhaoSiquan ZhuNature PortfolioarticleMedicineRScienceQENScientific Reports, Vol 11, Iss 1, Pp 1-11 (2021)
institution	DOAJ
collection	DOAJ
language	EN
topic	Medicine R Science Q
spellingShingle	Medicine R Science Q Mingxu Zhang Jiawei Yang Xiulan Zhao Ying Zhao Siquan Zhu Network pharmacology and molecular docking study on the active ingredients of qidengmingmu capsule for the treatment of diabetic retinopathy
description	Abstract Diabetic retinopathy (DR) is a leading cause of irreversible blindness globally. Qidengmingmu Capsule (QC) is a Chinese patent medicine used to treat DR, but the molecular mechanism of the treatment remains unknown. In this study, we identified and validated potential molecular mechanisms involved in the treatment of DR with QC via network pharmacology and molecular docking methods. The results of Ingredient-DR Target Network showed that 134 common targets and 20 active ingredients of QC were involved. According to the results of enrichment analysis, 2307 biological processes and 40 pathways were related to the treatment effects. Most of these processes and pathways were important for cell survival and were associated with many key factors in DR, such as vascular endothelial growth factor-A (VEGFA), hypoxia-inducible factor-1A (HIF-1Α), and tumor necrosis factor-α (TNFα). Based on the results of the PPI network and KEGG enrichment analyses, we selected AKT1, HIF-1α, VEGFA, TNFα and their corresponding active ingredients for molecular docking. According to the molecular docking results, several key targets of DR (including AKT1, HIF-1α, VEGFA, and TNFα) can form stable bonds with the corresponding active ingredients of QC. In conclusion, through network pharmacology methods, we found that potential biological mechanisms involved in the alleviation of DR by QC are related to multiple biological processes and signaling pathways. The molecular docking results also provide us with sound directions for further experiments.
format	article
author	Mingxu Zhang Jiawei Yang Xiulan Zhao Ying Zhao Siquan Zhu
author_facet	Mingxu Zhang Jiawei Yang Xiulan Zhao Ying Zhao Siquan Zhu
author_sort	Mingxu Zhang
title	Network pharmacology and molecular docking study on the active ingredients of qidengmingmu capsule for the treatment of diabetic retinopathy
title_short	Network pharmacology and molecular docking study on the active ingredients of qidengmingmu capsule for the treatment of diabetic retinopathy
title_full	Network pharmacology and molecular docking study on the active ingredients of qidengmingmu capsule for the treatment of diabetic retinopathy
title_fullStr	Network pharmacology and molecular docking study on the active ingredients of qidengmingmu capsule for the treatment of diabetic retinopathy
title_full_unstemmed	Network pharmacology and molecular docking study on the active ingredients of qidengmingmu capsule for the treatment of diabetic retinopathy
title_sort	network pharmacology and molecular docking study on the active ingredients of qidengmingmu capsule for the treatment of diabetic retinopathy
publisher	Nature Portfolio
publishDate	2021
url	https://doaj.org/article/ad0bfaf686bf4882b5d2e134e483b4b9
work_keys_str_mv	AT mingxuzhang networkpharmacologyandmoleculardockingstudyontheactiveingredientsofqidengmingmucapsuleforthetreatmentofdiabeticretinopathy AT jiaweiyang networkpharmacologyandmoleculardockingstudyontheactiveingredientsofqidengmingmucapsuleforthetreatmentofdiabeticretinopathy AT xiulanzhao networkpharmacologyandmoleculardockingstudyontheactiveingredientsofqidengmingmucapsuleforthetreatmentofdiabeticretinopathy AT yingzhao networkpharmacologyandmoleculardockingstudyontheactiveingredientsofqidengmingmucapsuleforthetreatmentofdiabeticretinopathy AT siquanzhu networkpharmacologyandmoleculardockingstudyontheactiveingredientsofqidengmingmucapsuleforthetreatmentofdiabeticretinopathy
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Network pharmacology and molecular docking study on the active ingredients of qidengmingmu capsule for the treatment of diabetic retinopathy

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