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http://earsiv.odu.edu.tr:8080/xmlui/handle/11489/3463
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DC Field | Value | Language |
---|---|---|
dc.contributor.author | Ustun, Elvan | - |
dc.contributor.author | Sahin, Neslihan | - |
dc.date.accessioned | 2023-01-06T11:06:23Z | - |
dc.date.available | 2023-01-06T11:06:23Z | - |
dc.date.issued | 2021 | - |
dc.identifier.citation | Ustun, E., Sahin, N. (2021). Synthesis, characterization, and in silico analysis against SARS CoV-2 of novel benzimidazolium salts. Ovidius University Annals of Chemistry, 32(2), 137-144.Doi:10.2478/auoc-2021-0021 | en_US |
dc.identifier.isbn | 1583-2430 | - |
dc.identifier.isbn | 2286-038X | - |
dc.identifier.uri | http://dx.doi.org/10.2478/auoc-2021-0021 | - |
dc.identifier.uri | https://www.webofscience.com/wos/woscc/full-record/WOS:000738914300003 | - |
dc.identifier.uri | http://earsiv.odu.edu.tr:8080/xmlui/handle/11489/3463 | - |
dc.description | WoS Categories : Chemistry, Multidisciplinary Web of Science Index : Emerging Sources Citation Index (ESCI) Research Areas : Chemistry Open Access Designations : hybrid | en_US |
dc.description.abstract | In acute conditions, vaccines are very important, although they provide antibodies for fighting against COVID19 for a certain period. It is necessary to produce an anti-viral agent for a usual healing process against SARS CoV-2 which is responsible the pandemic we are living in. Many drugs with benzimidazole main scaffold are still used in a wide variety of treatment procedures. In this case, substituted benzimidazole structures could be good candidates for fighting against COVID-19. Theoretical calculation methods could be a key tool for overcome the difficulties of individual analyzing of each new structure. In this study, new benzimidazole structures were synthesized and characterized for in silico evaluation as anti-viral agent. The molecules were optimized and analyzed for reactivity with Koopmans Theorem. Also, molecular docking simulations were performed for SARS coronavirus main peptidase (PDB ID: 2GTB), COVID-19 main protease (PDB ID: 5R82), and papain-like protease of SARS CoV-2 (PDB ID: 6W9C) crystals. | en_US |
dc.language.iso | eng | en_US |
dc.publisher | OVIDIUS UNIV PRESS CONSTANTA | en_US |
dc.relation.isversionof | 10.2478/auoc-2021-0021 | en_US |
dc.rights | info:eu-repo/semantics/openAccess | en_US |
dc.subject | CORRELATION-ENERGY; BASIS-SETS; FT-IR; APPROXIMATION; COMPLEXES; BINDING; LIGAND; NMR | en_US |
dc.subject | benzimidazolium; molecular docking; COVID-19; global reactivity descriptors | en_US |
dc.title | Synthesis, characterization, and in silico analysis against SARS CoV-2 of novel benzimidazolium salts | en_US |
dc.type | article | en_US |
dc.relation.journal | OVIDIUS UNIVERSITY ANNALS OF CHEMISTRY | en_US |
dc.contributor.department | Ordu Üniversitesi | en_US |
dc.identifier.volume | 32 | en_US |
dc.identifier.issue | 2 | en_US |
dc.identifier.startpage | 137 | en_US |
dc.identifier.endpage | 144 | en_US |
Appears in Collections: | Kimya |
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