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...
| Main Authors: | , , , , , |
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| Format: | Article |
| Language: | English |
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Multidisciplinary Digital Publishing Institute
2023
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| Online Access: | http://psasir.upm.edu.my/id/eprint/108663/1/Network%20pharmacology%20and%20molecular%20docking%20analysis.pdf |
| _version_ | 1817927570985844736 |
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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 | UPM |
| 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. |
| first_indexed | 2024-12-09T02:20:33Z |
| format | Article |
| id | upm.eprints-108663 |
| institution | Universiti Putra Malaysia |
| language | English |
| last_indexed | 2024-12-09T02:20:33Z |
| publishDate | 2023 |
| publisher | Multidisciplinary Digital Publishing Institute |
| record_format | dspace |
| spelling | 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 |
| 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 |
| 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 |
| url | http://psasir.upm.edu.my/id/eprint/108663/1/Network%20pharmacology%20and%20molecular%20docking%20analysis.pdf |
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