Designed, Synthesis, In Vitro and Computational Analyses of Anticancer Nicotinamide Derivatives

    February 2024 in “ Indian Journal of Chemistry ”
    Muhammed GÖMEÇ, Vesim Nasif, Ayşe Hümeyra Taşkın Kafa, Koray Sayın, Hayreddin Gezegen, Hilmi Ataseven
    TLDR Compound N4 effectively kills breast cancer cells and compounds N2 and N3 have strong antibacterial and antifungal properties.
    In this study, nine new nicotinamide derivative compounds were designed and synthesized, with their characterization performed using in silico methods. The anticancer effects were tested on four different cancer types and compared to healthy fibroblast cells, revealing that compound N4 had a significant cytotoxic effect on MCF-7 human breast cancer cells with an IC50 value of 12.1 μM. Additionally, the compounds exhibited notable antibacterial, antifungal, and antibiofilm activities, particularly N2 and N3. The anticancer properties were further analyzed using in silico techniques, including detailed pharmacophore mapping and ADME analyses.
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