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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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Main Authors: Shamsol Azman, Ain Nabila Syahira, Tan, Jun Jie, Abdullah, Muhammad Nazrul Hakim, Bahari, Hasnah, Lim, Vuanghao, Yong, Yoke Keong
Format: Article
Language:English
Published: Multidisciplinary Digital Publishing Institute 2023
Online Access:http://psasir.upm.edu.my/id/eprint/108663/1/Network%20pharmacology%20and%20molecular%20docking%20analysis.pdf
http://psasir.upm.edu.my/id/eprint/108663/
https://www.mdpi.com/2304-8158/12/9/1779
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spelling my.upm.eprints.1086632024-10-11T08:38:40Z http://psasir.upm.edu.my/id/eprint/108663/ 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 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. Multidisciplinary Digital Publishing Institute 2023-04-25 Article PeerReviewed text en http://psasir.upm.edu.my/id/eprint/108663/1/Network%20pharmacology%20and%20molecular%20docking%20analysis.pdf Shamsol Azman, Ain Nabila Syahira and Tan, Jun Jie and Abdullah, Muhammad Nazrul Hakim and Bahari, Hasnah and Lim, Vuanghao and Yong, Yoke Keong (2023) Network pharmacology and molecular docking analysis of active compounds in Tualang honey against atherosclerosis. Foods, 12 (9). art. no. 1779. pp. 1-17. ISSN 2304-8158 https://www.mdpi.com/2304-8158/12/9/1779 10.3390/foods12091779
institution Universiti Putra Malaysia
building UPM Library
collection Institutional Repository
continent Asia
country Malaysia
content_provider Universiti Putra Malaysia
content_source UPM Institutional Repository
url_provider http://psasir.upm.edu.my/
language English
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.
format Article
author Shamsol Azman, Ain Nabila Syahira
Tan, Jun Jie
Abdullah, Muhammad Nazrul Hakim
Bahari, Hasnah
Lim, Vuanghao
Yong, Yoke Keong
spellingShingle 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
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
title 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_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_sort network pharmacology and molecular docking analysis of active compounds in tualang honey against atherosclerosis
publisher Multidisciplinary Digital Publishing Institute
publishDate 2023
url http://psasir.upm.edu.my/id/eprint/108663/1/Network%20pharmacology%20and%20molecular%20docking%20analysis.pdf
http://psasir.upm.edu.my/id/eprint/108663/
https://www.mdpi.com/2304-8158/12/9/1779
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score 13.211869

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