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Öğe 2,3-Dichloronaphthoquinone derivatives: Synthesis, antimicrobial activity, molecular modelling and ADMET studies(Academic Press Inc Elsevier Science, 2024) Kolancilar, Hakan; Ozcan, Hafize; Yilmaz, Ays en uekinci; Salan, Alparslan Semih; Ece, AbdulilahIn the present study, an intermediate namely 2-(3-bromopropylamino)-3-chloronaphthalene-1,4-dione was initially synthesized via the nucleophilic addition-elimination reaction between 2,3-dichloro-1,4-naphthoquinone and 3-bromo-1-aminopropane. Then a coupling reaction between the intermediate and piperazine derivatives yielded a number of 1,4-naphthoquinone derivatives. Spectroscopic analysis successfully characterized the products that were obtained in good yields. In vitro antibacterial properties of the compounds were examined against different bacterial strains. In vitro antibacterial properties of the compounds were examined against the bacterial strains S. Aureus, E. Faecalis, E. Coli and P. Aeruginosa. While compound 9 was found to be effective against all bacterial strains used, compound 12 was active against three strains and compounds 10 and 11 were effective against the two. None of the compounds are effective against C. albicans strain. In silico molecular docking studies revealed that all compounds had docking scores comparable to the antibacterial drugs ciprofloxacin and gentamicin and might be considered as DNA gyrase B inhibitors. Molecular dynamics simulations were also conducted for a better understanding of the stability and the selected docked complexes. Additionally, the drug similarity of the synthesized compounds and ADMET characteristics were examined in conjunction with the antibiotic ciprofloxacin, and drug potentials were then evaluated. Compatible predictions were found with the drug similarity and ADMET parameters.Öğe THE ANTIMICROBIAL EFFECT OF N-ACETYLCYSTEINE AND ITS INTERACTION WITH ANTIBIOTICS AGAINST ACINETOBACTER BAUMANNII ISOLATES(2024) Salan, Alparslan Semih; Ökten, SuzanObjective: The objective of this study was to delve into the effect of N-acetylcysteine (NAC) molecule on the minimum inhibitory concentration (MIC) of meropenem, ciprofloxacin, and gentamicin in clinical isolates of Acinetobacter baumannii, aiming to find potential alternatives for the treatment of bacterial infections that are resistant to conventional antibiotics. Material and Method: The study included 25 A. baumannii isolates that were confirmed to be resistant to meropenem, ciprofloxacin, and gentamicin. The susceptibility of antibiotics was re-evaluated in the presence of NAC using the microdilution method. FIC indexes were calculated based on the checkerboard test results to determine the effect of the combination, defined as synergistic or additive. Result and Discussion: The study demonstrated that NAC molecule, when used alongside meropenem, ciprofloxacin, and gentamicin, effectively reduced the MIC values of these antibiotics against Acinetobacteria. Furthermore, NAC molecule exhibited a synergistic effect when combined with meropenem. Additive effects were observed in all isolates for the GEN-NAC and CIP-NAC combinations. In conclusion, the findings suggest that NAC molecule could serve as a new alternative for combined drug therapy, offering a promising approach to treatment.