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Network Pharmacology and Molecular Docking Analysis of Active Compounds in Tualang Honey against Atherosclerosis

Atherosclerosis, a pathological condition marked by the accumulation of lipids and fibrous substances in the arterial walls, is a leading cause of heart failure and death. The present study aimed to utilize network pharmacology to assess the potential pharmacological effects of bioactive compounds i...

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Autores principales: Shamsol Azman, Ain Nabila Syahira, Tan, Jun Jie, Abdullah, Muhammad Nazrul Hakim, Bahari, Hasnah, Lim, Vuanghao, Yong, Yoke Keong
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2023
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10178747/
https://www.ncbi.nlm.nih.gov/pubmed/37174317
http://dx.doi.org/10.3390/foods12091779
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author Shamsol Azman, Ain Nabila Syahira
Tan, Jun Jie
Abdullah, Muhammad Nazrul Hakim
Bahari, Hasnah
Lim, Vuanghao
Yong, Yoke Keong
author_facet Shamsol Azman, Ain Nabila Syahira
Tan, Jun Jie
Abdullah, Muhammad Nazrul Hakim
Bahari, Hasnah
Lim, Vuanghao
Yong, Yoke Keong
author_sort Shamsol Azman, Ain Nabila Syahira
collection PubMed
description Atherosclerosis, a pathological condition marked by the accumulation of lipids and fibrous substances in the arterial walls, is a leading cause of heart failure and death. The present study aimed to utilize network pharmacology to assess the potential pharmacological effects of bioactive compounds in Tualang honey on atherosclerosis. This is significant as previous studies have indicated the cardioprotective effects of Tualang honey, yet a comprehensive evaluation using network pharmacology has yet to be conducted. The bioactive compounds in Tualang honey were screened and the potential gene targets for these compounds were predicted through Swiss Target Prediction and SuperPred databases. Atherosclerosis genes were retrieved from the OMIM, DisGeNet, and GeneCards databases. The interaction between these compounds and atherosclerosis genes was established through protein–protein interaction, gene ontology, and KEGG pathway analysis. The results of these analyses were then further confirmed through molecular docking studies using the AutoDock Tools software. The results revealed that 6 out of 103 compounds in Tualang honey met the screening criteria, with a total of 336 potential gene targets, 238 of which were shared with atherosclerosis. Further analysis showed that these active compounds had a good affinity with key targets and were associated with biological processes related to protein phosphorylation and inflammation as well as pathways related to lipid and atherosclerosis and other signaling pathways. In conclusion, the study provides insight into the potential pharmacological effects of Tualang honey bioactive compounds on atherosclerosis, supporting its use as a promising treatment for the disease.
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spelling pubmed-101787472023-05-13 Network Pharmacology and Molecular Docking Analysis of Active Compounds in Tualang Honey against Atherosclerosis Shamsol Azman, Ain Nabila Syahira Tan, Jun Jie Abdullah, Muhammad Nazrul Hakim Bahari, Hasnah Lim, Vuanghao Yong, Yoke Keong Foods Article Atherosclerosis, a pathological condition marked by the accumulation of lipids and fibrous substances in the arterial walls, is a leading cause of heart failure and death. The present study aimed to utilize network pharmacology to assess the potential pharmacological effects of bioactive compounds in Tualang honey on atherosclerosis. This is significant as previous studies have indicated the cardioprotective effects of Tualang honey, yet a comprehensive evaluation using network pharmacology has yet to be conducted. The bioactive compounds in Tualang honey were screened and the potential gene targets for these compounds were predicted through Swiss Target Prediction and SuperPred databases. Atherosclerosis genes were retrieved from the OMIM, DisGeNet, and GeneCards databases. The interaction between these compounds and atherosclerosis genes was established through protein–protein interaction, gene ontology, and KEGG pathway analysis. The results of these analyses were then further confirmed through molecular docking studies using the AutoDock Tools software. The results revealed that 6 out of 103 compounds in Tualang honey met the screening criteria, with a total of 336 potential gene targets, 238 of which were shared with atherosclerosis. Further analysis showed that these active compounds had a good affinity with key targets and were associated with biological processes related to protein phosphorylation and inflammation as well as pathways related to lipid and atherosclerosis and other signaling pathways. In conclusion, the study provides insight into the potential pharmacological effects of Tualang honey bioactive compounds on atherosclerosis, supporting its use as a promising treatment for the disease. MDPI 2023-04-25 /pmc/articles/PMC10178747/ /pubmed/37174317 http://dx.doi.org/10.3390/foods12091779 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
Shamsol Azman, Ain Nabila Syahira
Tan, Jun Jie
Abdullah, Muhammad Nazrul Hakim
Bahari, Hasnah
Lim, Vuanghao
Yong, Yoke Keong
Network Pharmacology and Molecular Docking Analysis of Active Compounds in Tualang Honey against Atherosclerosis
title Network Pharmacology and Molecular Docking Analysis of Active Compounds in Tualang Honey against Atherosclerosis
title_full Network Pharmacology and Molecular Docking Analysis of Active Compounds in Tualang Honey against Atherosclerosis
title_fullStr Network Pharmacology and Molecular Docking Analysis of Active Compounds in Tualang Honey against Atherosclerosis
title_full_unstemmed Network Pharmacology and Molecular Docking Analysis of Active Compounds in Tualang Honey against Atherosclerosis
title_short Network Pharmacology and Molecular Docking Analysis of Active Compounds in Tualang Honey against Atherosclerosis
title_sort network pharmacology and molecular docking analysis of active compounds in tualang honey against atherosclerosis
topic Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10178747/
https://www.ncbi.nlm.nih.gov/pubmed/37174317
http://dx.doi.org/10.3390/foods12091779
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