Functionalized methoxy quinoline derivatives: Experimental and in silico evaluation as new antiepileptic, anti-Alzheimer, antibacterial and antifungal drug candidates

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dc.authoridOkten, Salih/0000-0001-9656-1803
dc.authoridCiftci, Bilge/0000-0002-4153-1209
dc.contributor.authorCiftci, Bilge
dc.contributor.authorOkten, Salih
dc.contributor.authorKocyigite, Umit Muhammet
dc.contributor.authorAtalay, Vildan Enisoglu
dc.contributor.authorAtas, Mehmet
dc.contributor.authorCakmak, Osman
dc.date.accessioned2025-01-21T16:41:16Z
dc.date.available2025-01-21T16:41:16Z
dc.date.issued2024
dc.departmentKırıkkale Üniversitesi
dc.description.abstractThe objective of this study was to assess the inhibitory effects of newly synthesized quinoline derivatives on human carbonic anhydrase I and II (hCA I and II), as well as acetylcholinesterase (AChE) enzymes, alongside their impact on various microorganisms. The synthesized compounds were assessed using IC50, Ki and MIC values via Ellman and Esterease Method and Microdilution assay. Most compounds exhibited strong inhibitory effects on human carbonic anhydrase I and II (hCA I and II) and acetylcholinesterase (AChE), notably compounds 9, 12, and 17 for hCA I, and 9, 12, 16 and 17 for hCA II, alongside robust AChE inhibition by compounds 8 and 13. Antimicrobial tests highlighted compounds 13 and 15 as promising inhibitors against pathogens, particularly effective across various strains. Molecular docking supported these findings, indicating potent binding abilities, notably by compounds 16 and 17 across specific protein structures (2COP, 5E2M, and 6KM3). The discussion emphasized the impact of substituents, particularly methoxy groups at specific positions, on enzyme inhibition, revealing how structural modifications affected enzyme inhibitory properties. The comprehensive analysis bridged experimental and computational findings, uncovering essential structure-activity relationships in quinoline derivatives and identifying potential candidates for further studies in enzyme inhibition and antimicrobial research.
dc.description.sponsorshipTUBITAK-Scientist Support Programs Presidency (BIDEB) 2209-A College Students Research Projects Support Program [1919B012107879 ]
dc.description.sponsorshipThis study was supported by project number 1919B012107879 '' under the TUBITAK-Scientist Support Programs Presidency (BIDEB) 2209-A College Students Research Projects Support Program.
dc.identifier.doi10.1016/j.ejmcr.2023.100127
dc.identifier.issn2772-4174
dc.identifier.scopus2-s2.0-85181957633
dc.identifier.scopusqualityQ2
dc.identifier.urihttps://doi.org/10.1016/j.ejmcr.2023.100127
dc.identifier.urihttps://hdl.handle.net/20.500.12587/24853
dc.identifier.volume10
dc.identifier.wosWOS:001153158200001
dc.identifier.wosqualityN/A
dc.indekslendigikaynakWeb of Science
dc.indekslendigikaynakScopus
dc.language.isoen
dc.publisherElsevier
dc.relation.ispartofEuropean Journal of Medicinal Chemistry Reports
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı
dc.rightsinfo:eu-repo/semantics/openAccess
dc.snmzKA_20241229
dc.subjectAcetylcholinesterase enzyme inhibition; Carbonic anhydrase enzyme inhibition; Methoxyquinoline; Quinoline
dc.titleFunctionalized methoxy quinoline derivatives: Experimental and in silico evaluation as new antiepileptic, anti-Alzheimer, antibacterial and antifungal drug candidates
dc.typeArticle

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