dc.contributor.author | GERÇEK, Z. | |
dc.contributor.author | Ceyhan, Deniz | |
dc.contributor.author | Erçağ, Erol | |
dc.date.accessioned | 2022-05-11T14:31:06Z | |
dc.date.available | 2022-05-11T14:31:06Z | |
dc.date.issued | 2021 | |
dc.identifier.issn | 1300-0527 | |
dc.identifier.uri | https://doi.org/10.3906/kim-2012-55 | |
dc.identifier.uri | https://hdl.handle.net/20.500.11776/7317 | |
dc.description.abstract | In 2020, the world tried to combat the corona virus (COVID-19) pandemic. A proven treatment method specific to Severe Acute Respiratory Syndrome Coronavirus-2 (SARS-CoV-2) is still not found. In this study, seven new antiviral compounds were designed for COVID-19 treatment. The ability of these compounds to inhibit COVID-19's RNA processing was calculated by the molecular docking study. It has been observed that the compounds can have high binding affinities especially against NSP12 (between -9.06 and -8.00 kcal/mol). The molecular dynamics simulation of NSP12-ZG 7 complex proved the stability of interaction. The synthesis of two most active molecules was performed by one-pot reaction and characterized by FT-IR, 1H-NMR, 13C-NMR, and mass spectroscopy. The compounds presented with their synthesis are inhibitory core structures against SARS-CoV-2 infection. © 2021 TUBITAK. All rights reserved. | en_US |
dc.description.sponsorship | Zonguldak Bülent Ecevit Üniversitesi, ZBEÜ: 2020-72118496-03 | en_US |
dc.description.sponsorship | The authors thank MNG Holding for their help and Zonguldak Bülent Ecevit University for sponsored this project with a grant number 2020-72118496-03. | en_US |
dc.language.iso | eng | en_US |
dc.publisher | TUBITAK | en_US |
dc.identifier.doi | 10.3906/kim-2012-55 | |
dc.rights | info:eu-repo/semantics/closedAccess | en_US |
dc.subject | Antiviral drug | en_US |
dc.subject | COVID-19 | en_US |
dc.subject | Molecular docking study | en_US |
dc.subject | SARS-CoV-2 | en_US |
dc.title | Synthesis and molecular docking study of novel COVID-19 inhibitors | en_US |
dc.type | article | en_US |
dc.relation.ispartof | Turkish Journal of Chemistry | en_US |
dc.department | Fakülteler, Fen Edebiyat Fakültesi, Kimya Bölümü | en_US |
dc.identifier.volume | 45 | en_US |
dc.identifier.issue | 3 | en_US |
dc.identifier.startpage | 704 | en_US |
dc.identifier.endpage | 718 | en_US |
dc.institutionauthor | Ceyhan, Deniz | |
dc.institutionauthor | Erçağ, Erol | |
dc.relation.publicationcategory | Makale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı | en_US |
dc.authorscopusid | 6506383580 | |
dc.authorscopusid | 8235840100 | |
dc.authorscopusid | 6508161441 | |
dc.identifier.scopus | 2-s2.0-85110944381 | en_US |
dc.identifier.trdizinid | 526228 | en_US |