An investigation into the usage of black cumin derivatives against cancer and COVID-19 as the nature medicine

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dc.authoridgokalp, faik/0000-0003-4363-3839
dc.contributor.authorGokalp, Faik
dc.date.accessioned2025-01-21T16:35:40Z
dc.date.available2025-01-21T16:35:40Z
dc.date.issued2024
dc.departmentKırıkkale Üniversitesi
dc.description.abstractBlack cumin has been used as a spice and food preservative for years. Thymol, thymoquinone, thymohydroquinone and dihydrothymoquinone are the most important natural agents in black cumin. In order to determine the most active compound in black cumin the theoretical calculations have been carried out in different phases by using the density functional theory (DFT). The inhibition effect of black cumin derivatives on Histone deacetylase 2 (HDAC2) has been determined and supported the experimental studies without losing time and matter. The chemical activity, stability and solubility of the active substances in black cumin have been theoretically calculated. The chemical active compounds had been investigated in the black seeds when extracted with water. Their stability and polarity in blood and water are important parameters. HDAC2- dihydrothymoquinone interaction has been investigated. It has been determined that the active substances found in black cumin are very effective in protecting ACE2 against COVID-19 and by comparing the docking results of important receptors and selected ligands on COVID-19.
dc.description.sponsorshipKimath;rimath;kkale University
dc.description.sponsorshipNo Statement Available
dc.identifier.doi10.1080/07391102.2024.2302942
dc.identifier.issn0739-1102
dc.identifier.issn1538-0254
dc.identifier.pmid38197611
dc.identifier.scopus2-s2.0-85181933665
dc.identifier.scopusqualityQ1
dc.identifier.urihttps://doi.org/10.1080/07391102.2024.2302942
dc.identifier.urihttps://hdl.handle.net/20.500.12587/24179
dc.identifier.wosWOS:001140956800001
dc.identifier.wosqualityN/A
dc.indekslendigikaynakWeb of Science
dc.indekslendigikaynakScopus
dc.indekslendigikaynakPubMed
dc.language.isoen
dc.publisherTaylor & Francis Inc
dc.relation.ispartofJournal of Biomolecular Structure & Dynamics
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı
dc.rightsinfo:eu-repo/semantics/closedAccess
dc.snmzKA_20241229
dc.subjectDihydrothymoquinone; Nigella sativa; thymohydroquinone; cancer; COVID-19
dc.titleAn investigation into the usage of black cumin derivatives against cancer and COVID-19 as the nature medicine
dc.typeArticle

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