dc.contributor.author | Ataseven, Hilmi | |
dc.contributor.author | Sayın, Koray | |
dc.contributor.author | Tüzün, Burak | |
dc.contributor.author | Gedikli, Mustafa Asım | |
dc.date.accessioned | 2022-05-18T10:33:46Z | |
dc.date.available | 2022-05-18T10:33:46Z | |
dc.date.issued | 2021 | tr |
dc.identifier.uri | http://www.elis.sk/index.php?page=shop.product_details&flypage=flypage.tpl&product_id=7392&category_id=171&option=com_virtuemart | |
dc.identifier.uri | https://hdl.handle.net/20.500.12418/13208 | |
dc.description.abstract | Abstract: BACKGROUND: Seven dioxaborole compounds are investigated in this study. Structural and spectral characterization is done at M062X/6-31+G(d,p) level in the water. Active sites of these compounds are determined using molecular electrostatic potential (MEP) maps. Electrophilic and nucleophilic attack regions are determined.
AIM: We aimed to determine whether Boron-Containing Compounds (BCCs) inhibitor used in the treatment of COVID-19 are effective against SARS Cov-2 in silico.
RESULTS AND CONCLUSION: Since SARS-CoV-2 is a worldwide health problem, anti-viral properties of studied boron-containing compounds were investigated by molecular docking calculations. In addition to these calculations, MM/PSBA calculations were performed. It was found that boron compounds can be good drug candidate against SARS-CoV-2 and the best compound is ((R)-1-((S)-3-(4-(aminomethyl)phenyl)-2-benzamidopropanamido)-4-guanidinobutyl)boronic acid (C26) (Tab. 2, Fig. 6, Ref. 29). Text in PDF www.elis.sk | tr |
dc.language.iso | eng | tr |
dc.relation.isversionof | doi:10.4149/BLL_2021_121 | tr |
dc.rights | info:eu-repo/semantics/openAccess | tr |
dc.subject | boronate ester, dioxaborole, in silico, SARS-CoV-2, MD calculations | tr |
dc.title | Could boron compounds be effective against SARS-CoV-2? | tr |
dc.type | article | tr |
dc.relation.journal | Bratislava Medical Journal | tr |
dc.contributor.department | Tıp Fakültesi | tr |
dc.contributor.authorID | 0000-0002-3494-7935 | tr |
dc.identifier.volume | 122 | tr |
dc.identifier.issue | 10 | tr |
dc.identifier.endpage | 758 | tr |
dc.identifier.startpage | 753 | tr |
dc.relation.publicationcategory | Uluslararası Editör Denetimli Dergide Makale | tr |