Yazar "Kaplancikli, Zafer Asim" seçeneğine göre listele

Listeleniyor 1 - 3 / 3
  • Küçük Resim Yok
    Öğe
    New imidazole derivatives as aromatase inhibitor: Design, synthesis, biological activity, molecular docking, and computational ADME-Tox studies
    (Elsevier, 2023) Cetiner, Gokay; Cevik, Ulviye Acar; Celik, Ismail; Bostanci, Hayrani Eren; Ozkay, Yusuf; Kaplancikli, Zafer Asim
    In this study, a series of imidazole derivatives was designed, synthesized, and evaluated for in vitro bi-ological activity on the human breast cancer cell line MCF7 by MTT assay. To determine the selectivity of the compounds, their cytotoxic effects on the L929 (healthy mouse fibroblast) cell line were also in-vestigated. Compounds 1a, 1b, and 1d were found to be more effective than the reference drug cisplatin against the MCF7 cell line. It is seen that the cytotoxic effects of the compounds on the L929 cell line are quite low, and the compounds are found to be highly selective. The inhibition potentials of the com-pounds 1a, 1b, 1d, and 1k which were effective on the MCF7 cell line, and on the aromatase enzyme were evaluated and it was found that the compounds had similar effects to the reference drug letro-zole. Further, the interactions between the best active compounds and the human aromatase cytochrome P450 (CYP) enzyme were analyzed through a molecular docking study. The findings suggest that these compounds could be a promising candidate for the creation of a new family of non-steroidal aromatase inhibitors. Finally, computational ADME-Tox studies of compounds 1a, 1b, 1d, and 1k were performed and found to have the appropriate profile.(c) 2023 Elsevier B.V. All rights reserved.
  • Küçük Resim Yok
    Öğe
    Synthesis, antibacterial, anti-urease, DFT and molecular docking studies of novel bis-1,3,4-thiadiazoles
    (Elsevier, 2025) Kaya, Betul; Cevik, Ulviye Acar; Behcet, Mustafa; Karayel, Arzu; Daoud, Nour El-Huda; Bostanci, Hayrani Eren; Kaplancikli, Zafer Asim
    A series of 2-substitutedamino-1,3,4-thiadiazoles (4a-4j) were synthesized starting from various isothiocyanate derivatives. The newly synthesized compounds were characterized by H-1 NMR, C-13 NMR, and elemental analysis. All compounds were tested for antibacterial activity against Proteus vulgaris (ATCC 7829) via the microbroth dilution technique. Among them, compound 4h emerged as the most potent antibacterial agent with MIC value of 4.1 mu M. All synthetic compounds were additionally evaluated for their urease inhibitory activity and exhibited good inhibitory potential against urease with IC50 values in the range of 1.732 +/- 0.186 - 3.786 +/- 0.300 mu M as compared to the standard thiourea (IC50 = 11.008 +/- 0.932 mu M). Compounds 4d, 4h and 4i showed significant inhibitory effects with IC50 values of 1.981 +/- 0.265, 1.732 +/- 0.186 and 1.937 +/- 0.173 mu M, respectively. In silico molecular docking study showed the critical interactions of compound 4h with the active site of the urease. According to DFT, compounds 4j and 4d (with low Delta E=4.536 eV and 4.629 eV values, respectively) are more chemically reactive than the other molecules, in which consistent with their inhibitory potentials against the urease enzyme. Molecular Dynamics simulations also were performed to assess the energetic features of the urease in complex with compound 4h. Furthermore, the predicted ADMET characteristics of the compound 4h was calculated using QikProp to gain insights into its pharmacokinetic properties. These newly identified inhibitors of the urease enzyme can serve as leads for further antibacterial drug research and development.
  • Küçük Resim Yok
    Öğe
    Synthesis, characterization, antimicrobial, antioxidant, and anti-cancer activity of new hybrid structures based on benzimidazole and thiadiazole
    (Univ Sao Paulo, Conjunto Quimicas, 2025) Bostanci, Hayrani Eren; Cevik, Ulviye Acar; Isik, Aysen; Maryam, Zahra; Ince, Ufuk; Ozkay, Yusuf; Kaplancikli, Zafer Asim
    Hybrid structures containing multiple pharmacophore units with known activity have attracted attention due to their promising outcomes. In this study, several new hybrid structures containing benzimidazole and thiadiazole units were synthesized. The newly synthesized compounds were structurally analyzed using 1H-NMR, 13C-NMR, HRMS, and elemental analysis. The antimicrobial, in vitro anti-cancer, and antioxidant activities of all compounds were investigated. In vitro antimicrobial activities of the compounds were determined against Gram-positive (S. aureus ATCC 29213, E. faecalis ATCC 29212), Gram-negative (E. coli ATCC 25922, P. aeruginosa ATCC 27853) bacteria and fungi (C. albicans ATCC 10231) by using broth microdilution method. The compound 5g bearing 4-methoxyphenyl derivative showed the best activity with 32 mu g/mL against S. aureus ATCC 29213 and P. aeruginosa ATCC 27853. The MTT test was used to determine the cytotoxicity of the produced compounds on the MCF-7 (human breast cancer) and L-929 (fibroblast) cell lines. FRAP method was used to determine the antioxidant properties of synthesized compounds. The Ferric Reducing Antioxidant Power of the compounds 5a, 5b, and 5c showed more antioxidant properties than vitamin E. The compound 5g stands out in the series in that it is not toxic on the healthy cell line and has promising antimicrobial activity.