Interaction profiling of cow milk metabolites against human Renin-Angiotensin System (RAS) proteins
To maintain healthy human physiology and promote growth and development, it is imperative to consume milk, which provides essential nutrients like vitamins and minerals. However, cow milk compounds contain different types of molecules, which may elicit varied responses within individuals. Milk metab...
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International Academy of Ecology and Environmental Sciences
2024-12-01
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| Series: | Network Biology |
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| Online Access: | http://www.iaees.org/publications/journals/nb/articles/2024-14(4)/interaction-profiling-of-cow-milk-metabolites.pdf |
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| author | Neelam Krishna Shraddha Vishwakarma Pramod Katara |
| author_facet | Neelam Krishna Shraddha Vishwakarma Pramod Katara |
| author_sort | Neelam Krishna |
| collection | DOAJ |
| description | To maintain healthy human physiology and promote growth and development, it is imperative to consume milk, which provides essential nutrients like vitamins and minerals. However, cow milk compounds contain different types of molecules, which may elicit varied responses within individuals. Milk metabolites are studied to impact several human biological processes that result in altered physiology. The Renin-Angiotensin System (RAS) is responsible for regulating blood pressure and maintaining a proper balance of fluids and electrolytes. However, impaired regulation of RAS may cause medical conditions such as heart failure, kidney disease, or hypertension. RAS is one of the studied systems, whose proteins reportedly interacted with and were affected by milk metabolites. The study attempts to find milk metabolites with high affinity towards RAS-proteins, and results from circumstances of interaction between them. Molecular docking between milk metabolites and RAS-proteins' and an interaction network was utilized to achieve the objective. In total 206 milk metabolites and 13 Ras proteins are considered for the study. Network analysis depends on the docking score, which helps us understand the interaction between milk molecules. Based on free energy analysis study indicates that out of 206, 35 milk metabolites showed free energy < -8 Kcal/mol, which indicates high binding affinity between these metabolites with 12 RAS-proteins. Four RAS proteins, i.e., ANPEP, CTSA, MRGPRD, and ACE, were found to have significantly interacted with more than 15 milk metabolites. Based on binding affinity, we can predict whether the specific metabolites with effective binding scores modulate the function of specific RAS proteins.
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| format | Article |
| id | doaj-art-fa7e06cdb2e040a29b039083900635c6 |
| institution | Kabale University |
| issn | 2220-8879 |
| language | English |
| publishDate | 2024-12-01 |
| publisher | International Academy of Ecology and Environmental Sciences |
| record_format | Article |
| series | Network Biology |
| spelling | doaj-art-fa7e06cdb2e040a29b039083900635c62024-11-27T00:45:39ZengInternational Academy of Ecology and Environmental SciencesNetwork Biology2220-88792024-12-01144293304Interaction profiling of cow milk metabolites against human Renin-Angiotensin System (RAS) proteinsNeelam Krishna0Shraddha Vishwakarma1Pramod Katara2Computational Omics Lab, Centre of Bioinformatics, IIDS, University of Allahabad, Prayagraj- (UP), India EComputational Omics Lab, Centre of Bioinformatics, IIDS, University of Allahabad, Prayagraj- (UP), India EComputational Omics Lab, Centre of Bioinformatics, IIDS, University of Allahabad, Prayagraj- (UP), India ETo maintain healthy human physiology and promote growth and development, it is imperative to consume milk, which provides essential nutrients like vitamins and minerals. However, cow milk compounds contain different types of molecules, which may elicit varied responses within individuals. Milk metabolites are studied to impact several human biological processes that result in altered physiology. The Renin-Angiotensin System (RAS) is responsible for regulating blood pressure and maintaining a proper balance of fluids and electrolytes. However, impaired regulation of RAS may cause medical conditions such as heart failure, kidney disease, or hypertension. RAS is one of the studied systems, whose proteins reportedly interacted with and were affected by milk metabolites. The study attempts to find milk metabolites with high affinity towards RAS-proteins, and results from circumstances of interaction between them. Molecular docking between milk metabolites and RAS-proteins' and an interaction network was utilized to achieve the objective. In total 206 milk metabolites and 13 Ras proteins are considered for the study. Network analysis depends on the docking score, which helps us understand the interaction between milk molecules. Based on free energy analysis study indicates that out of 206, 35 milk metabolites showed free energy < -8 Kcal/mol, which indicates high binding affinity between these metabolites with 12 RAS-proteins. Four RAS proteins, i.e., ANPEP, CTSA, MRGPRD, and ACE, were found to have significantly interacted with more than 15 milk metabolites. Based on binding affinity, we can predict whether the specific metabolites with effective binding scores modulate the function of specific RAS proteins. http://www.iaees.org/publications/journals/nb/articles/2024-14(4)/interaction-profiling-of-cow-milk-metabolites.pdfmilk metabolitesmolecular dockingrenin-angiotensin systemdairy productsbiological networkhuman physiology. |
| spellingShingle | Neelam Krishna Shraddha Vishwakarma Pramod Katara Interaction profiling of cow milk metabolites against human Renin-Angiotensin System (RAS) proteins Network Biology milk metabolites molecular docking renin-angiotensin system dairy products biological network human physiology. |
| title | Interaction profiling of cow milk metabolites against human Renin-Angiotensin System (RAS) proteins |
| title_full | Interaction profiling of cow milk metabolites against human Renin-Angiotensin System (RAS) proteins |
| title_fullStr | Interaction profiling of cow milk metabolites against human Renin-Angiotensin System (RAS) proteins |
| title_full_unstemmed | Interaction profiling of cow milk metabolites against human Renin-Angiotensin System (RAS) proteins |
| title_short | Interaction profiling of cow milk metabolites against human Renin-Angiotensin System (RAS) proteins |
| title_sort | interaction profiling of cow milk metabolites against human renin angiotensin system ras proteins |
| topic | milk metabolites molecular docking renin-angiotensin system dairy products biological network human physiology. |
| url | http://www.iaees.org/publications/journals/nb/articles/2024-14(4)/interaction-profiling-of-cow-milk-metabolites.pdf |
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