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Revealing the Underlying Mechanism of Acacia Nilotica against Asthma from a Systematic Perspective: A Network Pharmacology and Molecular Docking Study
Acacia Nilotica (AN) has long been used as a folk cure for asthma, but little is known about how AN could possibly modulate this disease. Thus, an in-silico molecular mechanism for AN’s anti-asthmatic action was elucidated utilizing network pharmacology and molecular docking techniques. DPED, PubChe...
Autores principales: | , , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
MDPI
2023
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9966740/ https://www.ncbi.nlm.nih.gov/pubmed/36836768 http://dx.doi.org/10.3390/life13020411 |
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author | Alnusaire, Taghreed S. Qasim, Sumera Al-Sanea, Mohammad M. Hendawy, Omnia Uttra, Ambreen Malik Ahmed, Shaimaa R. |
author_facet | Alnusaire, Taghreed S. Qasim, Sumera Al-Sanea, Mohammad M. Hendawy, Omnia Uttra, Ambreen Malik Ahmed, Shaimaa R. |
author_sort | Alnusaire, Taghreed S. |
collection | PubMed |
description | Acacia Nilotica (AN) has long been used as a folk cure for asthma, but little is known about how AN could possibly modulate this disease. Thus, an in-silico molecular mechanism for AN’s anti-asthmatic action was elucidated utilizing network pharmacology and molecular docking techniques. DPED, PubChem, Binding DB, DisGeNET, DAVID, and STRING were a few databases used to collect network data. MOE 2015.10 software was used for molecular docking. Out of 51 searched compounds of AN, eighteen compounds interacted with human target genes, a total of 189 compounds-related genes, and 2096 asthma-related genes were found in public databases, with 80 overlapping genes between them. AKT1, EGFR, VEGFA, and HSP90AB were the hub genes, whereas quercetin and apigenin were the most active components. p13AKT and MAPK signaling pathways were found to be the primary target of AN. Outcomes of network pharmacology and molecular docking predicted that AN might exert its anti-asthmatic effect probably by altering the p13AKT and MAPK signaling pathway. |
format | Online Article Text |
id | pubmed-9966740 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2023 |
publisher | MDPI |
record_format | MEDLINE/PubMed |
spelling | pubmed-99667402023-02-26 Revealing the Underlying Mechanism of Acacia Nilotica against Asthma from a Systematic Perspective: A Network Pharmacology and Molecular Docking Study Alnusaire, Taghreed S. Qasim, Sumera Al-Sanea, Mohammad M. Hendawy, Omnia Uttra, Ambreen Malik Ahmed, Shaimaa R. Life (Basel) Article Acacia Nilotica (AN) has long been used as a folk cure for asthma, but little is known about how AN could possibly modulate this disease. Thus, an in-silico molecular mechanism for AN’s anti-asthmatic action was elucidated utilizing network pharmacology and molecular docking techniques. DPED, PubChem, Binding DB, DisGeNET, DAVID, and STRING were a few databases used to collect network data. MOE 2015.10 software was used for molecular docking. Out of 51 searched compounds of AN, eighteen compounds interacted with human target genes, a total of 189 compounds-related genes, and 2096 asthma-related genes were found in public databases, with 80 overlapping genes between them. AKT1, EGFR, VEGFA, and HSP90AB were the hub genes, whereas quercetin and apigenin were the most active components. p13AKT and MAPK signaling pathways were found to be the primary target of AN. Outcomes of network pharmacology and molecular docking predicted that AN might exert its anti-asthmatic effect probably by altering the p13AKT and MAPK signaling pathway. MDPI 2023-02-01 /pmc/articles/PMC9966740/ /pubmed/36836768 http://dx.doi.org/10.3390/life13020411 Text en © 2023 by the authors. https://creativecommons.org/licenses/by/4.0/Licensee MDPI, Basel, Switzerland. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY) license (https://creativecommons.org/licenses/by/4.0/). |
spellingShingle | Article Alnusaire, Taghreed S. Qasim, Sumera Al-Sanea, Mohammad M. Hendawy, Omnia Uttra, Ambreen Malik Ahmed, Shaimaa R. Revealing the Underlying Mechanism of Acacia Nilotica against Asthma from a Systematic Perspective: A Network Pharmacology and Molecular Docking Study |
title | Revealing the Underlying Mechanism of Acacia Nilotica against Asthma from a Systematic Perspective: A Network Pharmacology and Molecular Docking Study |
title_full | Revealing the Underlying Mechanism of Acacia Nilotica against Asthma from a Systematic Perspective: A Network Pharmacology and Molecular Docking Study |
title_fullStr | Revealing the Underlying Mechanism of Acacia Nilotica against Asthma from a Systematic Perspective: A Network Pharmacology and Molecular Docking Study |
title_full_unstemmed | Revealing the Underlying Mechanism of Acacia Nilotica against Asthma from a Systematic Perspective: A Network Pharmacology and Molecular Docking Study |
title_short | Revealing the Underlying Mechanism of Acacia Nilotica against Asthma from a Systematic Perspective: A Network Pharmacology and Molecular Docking Study |
title_sort | revealing the underlying mechanism of acacia nilotica against asthma from a systematic perspective: a network pharmacology and molecular docking study |
topic | Article |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9966740/ https://www.ncbi.nlm.nih.gov/pubmed/36836768 http://dx.doi.org/10.3390/life13020411 |
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