Cargando…
Network Pharmacology and Molecular Docking Analysis to Explore the Mechanism of Huaiqihuang-Mediated Alleviation of Henoch–Schönlein Purpura Nephritis
OBJECTIVE: Henoch–Schönlein purpura nephritis (HSPN) is considered a major cause of chronic renal failure and is the most common secondary glomerular disease in children. Huaiqihuang (HQH), a traditional Chinese herbal formula, exhibits therapeutic effects against HSPN in clinical practice. However,...
Autores principales: | , , , , , |
---|---|
Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
Hindawi
2022
|
Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9652090/ https://www.ncbi.nlm.nih.gov/pubmed/36389115 http://dx.doi.org/10.1155/2022/2798217 |
_version_ | 1784828391356104704 |
---|---|
author | Liu, Qingqing Liu, Jiahua Du, Yaya Guo, Weiyan Mi, Jie Guo, Yanyan |
author_facet | Liu, Qingqing Liu, Jiahua Du, Yaya Guo, Weiyan Mi, Jie Guo, Yanyan |
author_sort | Liu, Qingqing |
collection | PubMed |
description | OBJECTIVE: Henoch–Schönlein purpura nephritis (HSPN) is considered a major cause of chronic renal failure and is the most common secondary glomerular disease in children. Huaiqihuang (HQH), a traditional Chinese herbal formula, exhibits therapeutic effects against HSPN in clinical practice. However, the potential molecular targets and mechanisms underlying HSPN treatment remain unclear. METHODS: By constructing a protein-protein interaction (PPI) network, core targets related to HQH and HSPN were identified. Gene Ontology enrichment and Kyoto Encyclopedia of Genes and Genomes pathways were analyzed to identify the main pathways related to HSPN based on the core targets. To screen the main active ingredients of HQH against HSPN, an ingredient-target-pathway network was constructed using the top 10 main pathways associated with HSPN. Then, molecular docking was performed to explore the interactions and binding patterns between molecules and proteins. RESULTS: Clinical data showed that HQH combined with conventional medicine significantly reduced 24-hour urine protein excretion, urine microalbumin levels, and erythrocyte counts in the urine sediment of HSPN patients. By constructing PPI models, 15 potential core targets were identified. The top 10 main pathways showed higher enrichment ratios, including the cytokine–cytokine receptor interaction and signaling pathways related to NOD-like receptor, IL-17, etc. Through the ingredient-target-pathway network and molecular docking, we revealed that five active ingredients of HQH had good affinities with three core targets, AKT1, MMP9, and SERPINE1, which may be vital in treating HSPN. CONCLUSIONS: The study preliminarily explored the active ingredients, targets, and pathways involved in HQH therapy for HSPN. The mechanism of HQH therapy may be attributed to the modulation of inflammatory response, immune response, and oxidative stress. Combined with clinical data, our results indicate that HQH is highly effective in treating HSPN. |
format | Online Article Text |
id | pubmed-9652090 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2022 |
publisher | Hindawi |
record_format | MEDLINE/PubMed |
spelling | pubmed-96520902022-11-15 Network Pharmacology and Molecular Docking Analysis to Explore the Mechanism of Huaiqihuang-Mediated Alleviation of Henoch–Schönlein Purpura Nephritis Liu, Qingqing Liu, Jiahua Du, Yaya Guo, Weiyan Mi, Jie Guo, Yanyan Biomed Res Int Research Article OBJECTIVE: Henoch–Schönlein purpura nephritis (HSPN) is considered a major cause of chronic renal failure and is the most common secondary glomerular disease in children. Huaiqihuang (HQH), a traditional Chinese herbal formula, exhibits therapeutic effects against HSPN in clinical practice. However, the potential molecular targets and mechanisms underlying HSPN treatment remain unclear. METHODS: By constructing a protein-protein interaction (PPI) network, core targets related to HQH and HSPN were identified. Gene Ontology enrichment and Kyoto Encyclopedia of Genes and Genomes pathways were analyzed to identify the main pathways related to HSPN based on the core targets. To screen the main active ingredients of HQH against HSPN, an ingredient-target-pathway network was constructed using the top 10 main pathways associated with HSPN. Then, molecular docking was performed to explore the interactions and binding patterns between molecules and proteins. RESULTS: Clinical data showed that HQH combined with conventional medicine significantly reduced 24-hour urine protein excretion, urine microalbumin levels, and erythrocyte counts in the urine sediment of HSPN patients. By constructing PPI models, 15 potential core targets were identified. The top 10 main pathways showed higher enrichment ratios, including the cytokine–cytokine receptor interaction and signaling pathways related to NOD-like receptor, IL-17, etc. Through the ingredient-target-pathway network and molecular docking, we revealed that five active ingredients of HQH had good affinities with three core targets, AKT1, MMP9, and SERPINE1, which may be vital in treating HSPN. CONCLUSIONS: The study preliminarily explored the active ingredients, targets, and pathways involved in HQH therapy for HSPN. The mechanism of HQH therapy may be attributed to the modulation of inflammatory response, immune response, and oxidative stress. Combined with clinical data, our results indicate that HQH is highly effective in treating HSPN. Hindawi 2022-11-04 /pmc/articles/PMC9652090/ /pubmed/36389115 http://dx.doi.org/10.1155/2022/2798217 Text en Copyright © 2022 Qingqing Liu et al. https://creativecommons.org/licenses/by/4.0/This is an open access article distributed under the Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited. |
spellingShingle | Research Article Liu, Qingqing Liu, Jiahua Du, Yaya Guo, Weiyan Mi, Jie Guo, Yanyan Network Pharmacology and Molecular Docking Analysis to Explore the Mechanism of Huaiqihuang-Mediated Alleviation of Henoch–Schönlein Purpura Nephritis |
title | Network Pharmacology and Molecular Docking Analysis to Explore the Mechanism of Huaiqihuang-Mediated Alleviation of Henoch–Schönlein Purpura Nephritis |
title_full | Network Pharmacology and Molecular Docking Analysis to Explore the Mechanism of Huaiqihuang-Mediated Alleviation of Henoch–Schönlein Purpura Nephritis |
title_fullStr | Network Pharmacology and Molecular Docking Analysis to Explore the Mechanism of Huaiqihuang-Mediated Alleviation of Henoch–Schönlein Purpura Nephritis |
title_full_unstemmed | Network Pharmacology and Molecular Docking Analysis to Explore the Mechanism of Huaiqihuang-Mediated Alleviation of Henoch–Schönlein Purpura Nephritis |
title_short | Network Pharmacology and Molecular Docking Analysis to Explore the Mechanism of Huaiqihuang-Mediated Alleviation of Henoch–Schönlein Purpura Nephritis |
title_sort | network pharmacology and molecular docking analysis to explore the mechanism of huaiqihuang-mediated alleviation of henoch–schönlein purpura nephritis |
topic | Research Article |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9652090/ https://www.ncbi.nlm.nih.gov/pubmed/36389115 http://dx.doi.org/10.1155/2022/2798217 |
work_keys_str_mv | AT liuqingqing networkpharmacologyandmoleculardockinganalysistoexplorethemechanismofhuaiqihuangmediatedalleviationofhenochschonleinpurpuranephritis AT liujiahua networkpharmacologyandmoleculardockinganalysistoexplorethemechanismofhuaiqihuangmediatedalleviationofhenochschonleinpurpuranephritis AT duyaya networkpharmacologyandmoleculardockinganalysistoexplorethemechanismofhuaiqihuangmediatedalleviationofhenochschonleinpurpuranephritis AT guoweiyan networkpharmacologyandmoleculardockinganalysistoexplorethemechanismofhuaiqihuangmediatedalleviationofhenochschonleinpurpuranephritis AT mijie networkpharmacologyandmoleculardockinganalysistoexplorethemechanismofhuaiqihuangmediatedalleviationofhenochschonleinpurpuranephritis AT guoyanyan networkpharmacologyandmoleculardockinganalysistoexplorethemechanismofhuaiqihuangmediatedalleviationofhenochschonleinpurpuranephritis |