Browsing by Author "Bailon Moscoso, Natalia"

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    Molecular docking studies of the antitumoral activity and characterization of new chalcone
    (2015) San Martín Barrientos, Aurelio del Carmen; Donoso Bustamante, Catherin Viviana; Leiva Poveda, Sergio Javier; Núñez, Solange; Juana, Rovirosa; Bailon Moscoso, Natalia; Cuenca Camacho, Sandra Marianela; Malagón Avilés, Omar; Cazar Ramírez, María Elena; Cazar Ramírez, María Elena
    Phytochemical investigation of Azorella madreporica led to the isolation of four known compounds and an unknown chalcone. The structure of the new compound was identified by spec-troscopy, including two-dimensional NMR techniques and comparison with published spectral data. The antioxidant ac-tivity of chalcone (compound 1) was measured using the 1,2-diphenyl-2-picryl-hydrazyl (DPPH) free radical scaveng-ing assay, and the bioactivity was evaluated against five bacteria (Mycobacterium smegmatis ATCC 14468, clinical iso-lates of Staphylococcus aureus, Klebsiella granulomatis, Morganella morganii and Escherichia coli) and four cancer cell lines. Docking studies with the tested cancer related proteins revealed nearby values of energy between doxorubicin and compound 1. Besides, protein-ligand interactions correlate with these energy values
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    Study of a selected series of 3- and 4-arylcoumarins as antifungal agents against dermatophytic fungi: T. rubrum and T. mentagrophytes
    (2021) Lopez Cisneros, Carmen Lucia; Cazar Ramírez, María Elena; Bailon Moscoso, Natalia; Guardado, Estela; Borges, Fernanda; Uriarte, Eugenio; Matos, Maria JoAo
    The main etiological agents in dermatophytosis of human skin and nails are Trichophyton, in particular Trichophyton rubrum (T. rubrum) and Trichophyton mentagrophytes (T. mentagro- phytes). A new series of twenty-three 3- and 4-arylcoumarins was synthesized and the antifungal activities against clinical isolates of T. rubrum and T. mentagrophytes were evaluated. Sixteen out of twenty-three molecules exhibited antifungal activity against one or both fungi strains. In some cases, the activity against T. rubrum has been comparable to fluconazole, one of the standards, being 8-methoxy-3-(4’-nitrophenyl) coumarin (16) the best compound within this series (minimum inhibitory concentration, MIC=6.25 μg/mL). The preliminary structure-activity relationship study showed that the antifungal activity depends on the position and nature of the substitution patterns. The cytotoxicity of eleven compounds on D-384 (astrocytoma), A-549 (lung cancer) and RKO (colorectal cancer) cell lines was also performed. With the aim of deeply under- stand the potential of these molecules as hits to develop new drugs, the theoretical absorption, distribution, metabolism and excretion (ADME) properties of the active compounds were calculated