Synthesis, characterization and bioactivity of novel 8-hydroxyquinoline derivatives: Experimental, molecular docking, DFT and POM analyses

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dc.authoridkribii, abderahim/0000-0002-0694-1069
dc.authoridTUZUN, BURAK/0000-0002-0420-2043
dc.authoridlakhrissi, Younes/0000-0002-2537-8283
dc.authoridLakhrissi, Brahim/0000-0002-5188-7831
dc.authorid/0000-0003-0610-8218
dc.contributor.authorRbaa, Mohamed
dc.contributor.authorHaida, Sara
dc.contributor.authorTuzun, Burak
dc.contributor.authorHichar, Abdelhadi
dc.contributor.authorEl Hassane, Anouar
dc.contributor.authorKribii, Abderahim
dc.contributor.authorLakhrissi, Younes
dc.date.accessioned2024-10-26T18:11:29Z
dc.date.available2024-10-26T18:11:29Z
dc.date.issued2022
dc.departmentSivas Cumhuriyet Üniversitesi
dc.description.abstractIn this present research work, new 8-hydroxyquinoline derivatives were synthesized and their molecular structures were confirmed by the H-1 NMR, C-13 NMR, IR and elemental analysis. The antioxidant activity of the synthesized compounds is evaluated through their capacity to scavenge 2,2-di-phenyl-1picrylhydrazyl (DPPH) free radicals. In addition, their antibacterial activity was examined against bacterial strains of S. aureus, K. pneumonia, and E. coli. The obtained results showed that the antibacterial activity of studied compounds for Gram-positive and Gram-negative is higher than Penicillin G. The theoretical properties of selected compounds was computed by the DFT method. POM analysis (Petra/Osiris/Molinspiration) of studied molecules has been done. Their biological activities were compared against breast, liver and lung cancer proteins. The obtained results showed the synthesized derivatives were effective antibacterial and antioxidant agents against various biological material. (c) 2022 Elsevier B.V. All rights reserved.
dc.description.sponsorshipSivas Cumhuriyet University [RGD-020]
dc.description.sponsorshipThe present investigation is promoted by the Scientific Research Project Fund of Sivas Cumhuriyet University (RGD-020), TUBITAK ULAKBIM, High Performance and Grid Computing Center (TR-Grid e-Infrastructure) .
dc.identifier.doi10.1016/j.molstruc.2022.132688
dc.identifier.issn0022-2860
dc.identifier.issn1872-8014
dc.identifier.scopus2-s2.0-85125727163
dc.identifier.scopusqualityQ2
dc.identifier.urihttps://doi.org/10.1016/j.molstruc.2022.132688
dc.identifier.urihttps://hdl.handle.net/20.500.12418/30674
dc.identifier.volume1258
dc.identifier.wosWOS:000789887900007
dc.identifier.wosqualityQ2
dc.indekslendigikaynakWeb of Science
dc.indekslendigikaynakScopus
dc.language.isoen
dc.publisherElsevier
dc.relation.ispartofJournal of Molecular Structure
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı
dc.rightsinfo:eu-repo/semantics/closedAccess
dc.subjectOrganic synthesis
dc.subjectBiological activity
dc.subjectSpectroscopic characterization
dc.subjectTheoretical model
dc.titleSynthesis, characterization and bioactivity of novel 8-hydroxyquinoline derivatives: Experimental, molecular docking, DFT and POM analyses
dc.typeArticle

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