In-silico study on perovskites application in capturing and distorting coronavirus
The COVID-19 pandemic, known as coronavirus pandemic, a global pandemic, emerged from the beginning of 2020 and became dominant in many countries. As COVID-19 is one of the deadliest pandemics in history and has a high rate of distribution, a fast and extensive reaction was needed. Considering its c...
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| Format: | Article |
| Language: | English |
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Elsevier
2021-01-01
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| Series: | Informatics in Medicine Unlocked |
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| Online Access: | http://www.sciencedirect.com/science/article/pii/S2352914821002306 |
| _version_ | 1819122163071844352 |
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| author | Mohammad Khedri Pegah Zandi Ebrahim Ghasemy Arash Nikzad Reza Maleki Nima Rezaei |
| author_facet | Mohammad Khedri Pegah Zandi Ebrahim Ghasemy Arash Nikzad Reza Maleki Nima Rezaei |
| author_sort | Mohammad Khedri |
| collection | DOAJ |
| description | The COVID-19 pandemic, known as coronavirus pandemic, a global pandemic, emerged from the beginning of 2020 and became dominant in many countries. As COVID-19 is one of the deadliest pandemics in history and has a high rate of distribution, a fast and extensive reaction was needed. Considering its composition, revealing the infection mechanism is beneficial for effective decisions against the spread and attack of COVID-19. Investigating data from numerous studies confirms that the penetration of SARS-CoV-2 occurs along with bonding spike protein (S protein) and through ACE2; Therefore, these two parts were the focus of research on the suppression and control of the infection. Performing lab research on all promising candidates requires years of experimental study, which is time-consuming and not an acceptable solution. Molecular dynamic simulation can decipher the performance of nano-structures in preventing the spread of coronavirus in a shorter time. This study surveyed the effect of three nano-perovskite structures (SrTiO3, CaTiO3, and BaTiO3), a cutting-edge group of perovskite materials with outstanding properties on coronavirus. Various computational parameters evaluate the effectiveness of these structures. Results of the simulation indicated that SrTiO3 performs better in SARS-CoV-2 suppression. |
| first_indexed | 2024-12-22T06:48:05Z |
| format | Article |
| id | doaj.art-1402febc278f40b8af0bdb56a7151318 |
| institution | Directory Open Access Journal |
| issn | 2352-9148 |
| language | English |
| last_indexed | 2024-12-22T06:48:05Z |
| publishDate | 2021-01-01 |
| publisher | Elsevier |
| record_format | Article |
| series | Informatics in Medicine Unlocked |
| spelling | doaj.art-1402febc278f40b8af0bdb56a71513182022-12-21T18:35:13ZengElsevierInformatics in Medicine Unlocked2352-91482021-01-0126100755In-silico study on perovskites application in capturing and distorting coronavirusMohammad Khedri0Pegah Zandi1Ebrahim Ghasemy2Arash Nikzad3Reza Maleki4Nima Rezaei5Computational Biology and Chemistry Group (CBCG), Universal Scientific Education and Research Network (USERN), Tehran, IranSchool of Metallurgy and Materials Engineering, College of Engineering, University of Tehran, Tehran, IranNanotechnology Department, School of New Technologies, Iran University of Science and Technology, Tehran, IranDepartment of Mechanical Engineering, University of British Columbia, 2054-6250 Applied Science Lane, Vancouver, BC V6T1Z4, CanadaCorresponding author.; Computational Biology and Chemistry Group (CBCG), Universal Scientific Education and Research Network (USERN), Tehran, IranCorresponding author. Research Center for Immunodeficiencies, Pediatrics Center of Excellence, Children's Medical Center, Tehran University of Medical Sciences, Tehran, Iran.; Research Center for Immunodeficiencies, Pediatrics Center of Excellence, Children's Medical Center, Tehran University of Medical Sciences, Tehran, Iran; Network of Immunity in Infection, Malignancy and Autoimmunity (NIIMA), Universal Scientific Education and Research Network (USERN), Tehran, Iran; Department of Immunology, School of Medicine, Tehran University of Medical Sciences, Tehran, IranThe COVID-19 pandemic, known as coronavirus pandemic, a global pandemic, emerged from the beginning of 2020 and became dominant in many countries. As COVID-19 is one of the deadliest pandemics in history and has a high rate of distribution, a fast and extensive reaction was needed. Considering its composition, revealing the infection mechanism is beneficial for effective decisions against the spread and attack of COVID-19. Investigating data from numerous studies confirms that the penetration of SARS-CoV-2 occurs along with bonding spike protein (S protein) and through ACE2; Therefore, these two parts were the focus of research on the suppression and control of the infection. Performing lab research on all promising candidates requires years of experimental study, which is time-consuming and not an acceptable solution. Molecular dynamic simulation can decipher the performance of nano-structures in preventing the spread of coronavirus in a shorter time. This study surveyed the effect of three nano-perovskite structures (SrTiO3, CaTiO3, and BaTiO3), a cutting-edge group of perovskite materials with outstanding properties on coronavirus. Various computational parameters evaluate the effectiveness of these structures. Results of the simulation indicated that SrTiO3 performs better in SARS-CoV-2 suppression.http://www.sciencedirect.com/science/article/pii/S2352914821002306Nano-perovskiteMolecular dynamicsSARS-CoV-2COVID-19ACE2Spike protein |
| spellingShingle | Mohammad Khedri Pegah Zandi Ebrahim Ghasemy Arash Nikzad Reza Maleki Nima Rezaei In-silico study on perovskites application in capturing and distorting coronavirus Informatics in Medicine Unlocked Nano-perovskite Molecular dynamics SARS-CoV-2 COVID-19 ACE2 Spike protein |
| title | In-silico study on perovskites application in capturing and distorting coronavirus |
| title_full | In-silico study on perovskites application in capturing and distorting coronavirus |
| title_fullStr | In-silico study on perovskites application in capturing and distorting coronavirus |
| title_full_unstemmed | In-silico study on perovskites application in capturing and distorting coronavirus |
| title_short | In-silico study on perovskites application in capturing and distorting coronavirus |
| title_sort | in silico study on perovskites application in capturing and distorting coronavirus |
| topic | Nano-perovskite Molecular dynamics SARS-CoV-2 COVID-19 ACE2 Spike protein |
| url | http://www.sciencedirect.com/science/article/pii/S2352914821002306 |
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