Puskullu, Mustafa OrhanCelik, IsmailErol, MeryemFatullayev, HanifaUzunhisarcikli, EbruKuyucuklu, Gulcan2024-06-122024-06-1220200045-20681090-2120https://doi.org/10.1016/j.bioorg.2020.104014https://hdl.handle.net/20.500.14551/23503In this study, a total of 22 piece quinoline-3-carbaldehyde hydrazone derivative compounds were designed and synthesized, 2 of which were not original, their antimicrobial activities were determined with microdilution method and their in vitro cytotoxic effect was investigated in MCF-7 and A549 cells by MTT assay. When the activity results are examined, although the antimicrobial effects of quinoline derivatives, in general, are weaker than standard drugs; 3q5 and 3q6 against MRSA showed promising activity with MIC:16 mu g/ml compared to reference drugs. Compounds generally showed weaker cytotoxic activity on the A549 and MCF-7 cell line. 3q12, 3q17 and 3q22 at 100 mu M reduced cell viability to 59.28%, 76.24% and 72.92% on A549 cells, respectively. Compound 3q6, one of the most effective compounds against MRSA, formed a 2.10 angstrom long hydrogen bond between the quinoline nitrogen and ARG132 in the DNA topoisomerase IV active site (PDB: 3FV5). Theoretical ADME profiles of all compounds comply with Lipinski and other limiting rules. In addition, MEP analysis of 3q6, geometric optimization and molecular reactivity analysis were calculated with the 6-311G (d,p) base set DFT/ B3LYP theory, and Delta E = ELUMO-EHOMO, which is a measure of the stable structure of the molecule, was cal-culated as 0.13377 for 3q6 and had the most stable electronic structure among all compounds.en10.1016/j.bioorg.2020.104014info:eu-repo/semantics/closedAccessQuinolineHydrazoneAntimicrobial ActivityCytotoxicityMolecular DockingSpectroscopic InvestigationsThermal-PropertiesComplexesBindingArticle101Q1WOS:0005526358000092-s2.0-8508685087432599364Q1