Network pharmacology and molecular docking analysis of active compounds in Tualang honey against atherosclerosis

Citation

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

Abstract

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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Official URL or Download Paper: https://www.mdpi.com/2304-8158/12/9/1779

Additional Metadata

Item Type:	Article
Divisions:	Faculty of Medicine and Health Science
DOI Number:	https://doi.org/10.3390/foods12091779
Publisher:	Multidisciplinary Digital Publishing Institute
Keywords:	Atherosclerosis; Tualang honey; Madu tualang; Network pharmacology; Molecular docking; Bee product; Good health and well-being
Depositing User:	Ms. Che Wa Zakaria
Date Deposited:	11 Oct 2024 08:38
Last Modified:	11 Oct 2024 08:38
Altmetrics:	http://www.altmetric.com/details.php?domain=psasir.upm.edu.my&doi=10.3390/foods12091779
URI:	http://psasir.upm.edu.my/id/eprint/108663
Statistic Details:	View Download Statistic

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