Could pyrimidine derivative be effective against Omicron of SARS-CoV-2?

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dc.authoridKARATAS, Halis/0000-0001-5473-5588
dc.contributor.authorKaratas, Halis
dc.contributor.authorTuzun, Burak
dc.contributor.authorKokbudak, Zulbiye
dc.date.accessioned2024-10-26T18:05:22Z
dc.date.available2024-10-26T18:05:22Z
dc.date.issued2022
dc.departmentSivas Cumhuriyet Üniversitesi
dc.description.abstractBACKGROUND: A pyrimidine based Schiff base was examined in this report. Structural and spectral characterizations were done with Gaussian software. Active sites of the compound were determined using molecular electrostatic potential (MEP) maps. AIM: We focused to determine whether pyrimidine based Schiff base would be an inhibitor against Omicron of SARS-CoV-2 in silico. RESULTS AND CONCLUSION: As one of the perils the world has seen lately, omicron of SARS-CoV-2, is a complication to be solved. For the sake of that, anti-viral properties of studied pyrimidine based Schiff base compound were investigated with molecular docking calculations. It was found that the quantitative values of the calculated parameters were in the applicable ranges. In accordance with these results, it will be an important guide for future in vitro and in vivo analysis (Tab. 3, Fig. 7, Ref. 70). Text in PDF www.elis.sk
dc.description.sponsorshipScientific Research Project Fund of Sivas Cumhuriyet University [RGD020]
dc.description.sponsorshipThis work is supported by the Scientific Research Project Fund of Sivas Cumhuriyet University under project number RGD020. This research was made possible by the TUBITAK ULAKBIM, High Performance and Grid Computing Center (TR-Grid e-Infrastructure).
dc.identifier.doi10.4149/BLL_2022_081
dc.identifier.endpage513
dc.identifier.issn0006-9248
dc.identifier.issn1336-0345
dc.identifier.issue7
dc.identifier.pmid35907057
dc.identifier.scopus2-s2.0-85131406575
dc.identifier.scopusqualityQ3
dc.identifier.startpage505
dc.identifier.urihttps://doi.org/10.4149/BLL_2022_081
dc.identifier.urihttps://hdl.handle.net/20.500.12418/28965
dc.identifier.volume123
dc.identifier.wosWOS:000812277000008
dc.identifier.wosqualityQ4
dc.indekslendigikaynakWeb of Science
dc.indekslendigikaynakScopus
dc.indekslendigikaynakPubMed
dc.language.isoen
dc.publisherAepress Sro
dc.relation.ispartofBratislava Medical Journal-Bratislavske Lekarske Listy
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı
dc.rightsinfo:eu-repo/semantics/openAccess
dc.subjectPyrimidine
dc.subjectSchiff base
dc.subjectomicron of SARS-CoV-2
dc.subjectDFT
dc.subjectMolecular docking
dc.subjectADME
dc.subjectT
dc.titleCould pyrimidine derivative be effective against Omicron of SARS-CoV-2?
dc.typeArticle

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