The Study of Interactions between Amyloid-Beta Precursor Protein and Functional Nanomotors as a New anti-Alzheimer\'s Disease Strategy by Modeling and Computer Simulation
Introduction: The aim of this study was to evaluate the performance of three nanomotors on 15 transmembrane amyloid-beta precursor proteins by molecular dynamics simulation. Method: In this study, 15 transmembrane APP (14 mutant forms and one normal) were obtained from National Center for Biotechno...
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| Format: | Article |
| Language: | fas |
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Kerman University of Medical Sciences
2016-09-01
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| Series: | مجله انفورماتیک سلامت و زیست پزشکی |
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| Online Access: | http://jhbmi.ir/article-1-141-en.html |
| _version_ | 1811176261249138688 |
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| author | Saeideh Jafarinezhad Mahmood Dehghani Ashkezari Ali Jebali |
| author_facet | Saeideh Jafarinezhad Mahmood Dehghani Ashkezari Ali Jebali |
| author_sort | Saeideh Jafarinezhad |
| collection | DOAJ |
| description | Introduction: The aim of this study was to evaluate the performance of three nanomotors on 15 transmembrane amyloid-beta precursor proteins by molecular dynamics simulation.
Method: In this study, 15 transmembrane APP (14 mutant forms and one normal) were obtained from National Center for Biotechnology Information (NCBI) and separately modeled in Designer Ascalaph. The synthesized peptides with three-dimensional stable structures were selected to be simulated and then were placed near synthesized nanomotors, hypericin, and retinol using HyperChem. At end of simulation, different parameters such as free energy, intermolecular energy, potential energy, and root mean square displacement (RMSD) were separately obtained for each APP. Finally, the ratio of changes was calculated for each parameter.
Results: The results showed that each nanomotor had different performance on different peptides. Hypericin on peptide 5, retinol on peptide 10, and nanomotors partly on peptide 4 had a great performance. But because each nanomotor influences only special mutant peptide and Alzheimer's disease is caused by different mutations, only one type of nanomotors cannot be used to treat Alzheimer's disease.
Conclusion: According to the investigations performed on the treatment of Alzheimer’s disease, it can be concluded that retinol with three-dimensional structure and dynamic parameters has great performance on transmembrane mutant peptide; therefore, it can be considered as a useful treatment strategy. |
| first_indexed | 2024-04-10T19:49:09Z |
| format | Article |
| id | doaj.art-0fc179e22fa347109a016319bf0bf935 |
| institution | Directory Open Access Journal |
| issn | 2423-3870 2423-3498 |
| language | fas |
| last_indexed | 2024-04-10T19:49:09Z |
| publishDate | 2016-09-01 |
| publisher | Kerman University of Medical Sciences |
| record_format | Article |
| series | مجله انفورماتیک سلامت و زیست پزشکی |
| spelling | doaj.art-0fc179e22fa347109a016319bf0bf9352023-01-28T10:42:12ZfasKerman University of Medical Sciencesمجله انفورماتیک سلامت و زیست پزشکی2423-38702423-34982016-09-0132100117The Study of Interactions between Amyloid-Beta Precursor Protein and Functional Nanomotors as a New anti-Alzheimer\'s Disease Strategy by Modeling and Computer SimulationSaeideh Jafarinezhad0Mahmood Dehghani Ashkezari1Ali Jebali2 Ph.D. in Medical Nanotechnology Assistant Professor, Medical Biotechnology Research Center, Islamic Azad University-Ashkezar Branch, Ashkezar, Yazd, Iran. Introduction: The aim of this study was to evaluate the performance of three nanomotors on 15 transmembrane amyloid-beta precursor proteins by molecular dynamics simulation. Method: In this study, 15 transmembrane APP (14 mutant forms and one normal) were obtained from National Center for Biotechnology Information (NCBI) and separately modeled in Designer Ascalaph. The synthesized peptides with three-dimensional stable structures were selected to be simulated and then were placed near synthesized nanomotors, hypericin, and retinol using HyperChem. At end of simulation, different parameters such as free energy, intermolecular energy, potential energy, and root mean square displacement (RMSD) were separately obtained for each APP. Finally, the ratio of changes was calculated for each parameter. Results: The results showed that each nanomotor had different performance on different peptides. Hypericin on peptide 5, retinol on peptide 10, and nanomotors partly on peptide 4 had a great performance. But because each nanomotor influences only special mutant peptide and Alzheimer's disease is caused by different mutations, only one type of nanomotors cannot be used to treat Alzheimer's disease. Conclusion: According to the investigations performed on the treatment of Alzheimer’s disease, it can be concluded that retinol with three-dimensional structure and dynamic parameters has great performance on transmembrane mutant peptide; therefore, it can be considered as a useful treatment strategy.http://jhbmi.ir/article-1-141-en.htmlamyloid precursor proteinalzheimer's diseasesimulationnanomotor |
| spellingShingle | Saeideh Jafarinezhad Mahmood Dehghani Ashkezari Ali Jebali The Study of Interactions between Amyloid-Beta Precursor Protein and Functional Nanomotors as a New anti-Alzheimer\'s Disease Strategy by Modeling and Computer Simulation مجله انفورماتیک سلامت و زیست پزشکی amyloid precursor protein alzheimer's disease simulation nanomotor |
| title | The Study of Interactions between Amyloid-Beta Precursor Protein and Functional Nanomotors as a New anti-Alzheimer\'s Disease Strategy by Modeling and Computer Simulation |
| title_full | The Study of Interactions between Amyloid-Beta Precursor Protein and Functional Nanomotors as a New anti-Alzheimer\'s Disease Strategy by Modeling and Computer Simulation |
| title_fullStr | The Study of Interactions between Amyloid-Beta Precursor Protein and Functional Nanomotors as a New anti-Alzheimer\'s Disease Strategy by Modeling and Computer Simulation |
| title_full_unstemmed | The Study of Interactions between Amyloid-Beta Precursor Protein and Functional Nanomotors as a New anti-Alzheimer\'s Disease Strategy by Modeling and Computer Simulation |
| title_short | The Study of Interactions between Amyloid-Beta Precursor Protein and Functional Nanomotors as a New anti-Alzheimer\'s Disease Strategy by Modeling and Computer Simulation |
| title_sort | study of interactions between amyloid beta precursor protein and functional nanomotors as a new anti alzheimer s disease strategy by modeling and computer simulation |
| topic | amyloid precursor protein alzheimer's disease simulation nanomotor |
| url | http://jhbmi.ir/article-1-141-en.html |
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