Examinando por Materia "Inhibidores"

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  • Miniatura
    PublicaciónAcceso abierto
    Estudio por acoplamiento molecular del sitio de unión de potenciales inhibidores de Niemann Pick C1 involucrada en la transmisión del virus del Ébola
    (Universidad De Córdoba, 2022-07-21) Bravo Rubio, Yarelys Patricia; Ensuncho Muñoz, Adolfo Enrique; Jesus Manuel López Ochoa
    In this work, potential inhibitors of Ebola virus transmission were designed by analyzing the binding site of the Niemann Pick C1 protein, by means of molecular docking. For this investigation, a study of the binding site of the protein with cholesterol was carried out using the programs protein plus and CASTp; Following this, the validation of the method was carried out using the Ligplot + and USCF Chimera software. Subsequently, molecules from other investigations were taken to study their interactions and based on this, new molecules were designed to which molecular coupling was applied to be able to choose the molecules with the best binding energies and finally a study was carried out on this selected group. Of the pharmacokinetic properties by means of Swiss ADME. Structures 18(a) and 22(b) presented the best results in the bioavailability radar, both present a high gastrointestinal absorption, comply with the Lipinski rules and their values are within the established parameters, thus considering these molecules with great potential as inhibitors of the Ebola virus.
  • Miniatura
    PublicaciónAcceso abierto
    Peligros de contaminación de la leche por agroquímicos y fármacos veterinarios en el eslabón primario de la cadena productiva
    (2021-03-27) García Sánchez, Andrew; Álvarez Badel, Beatriz; Simanca Sotelo, Mónica
    Approximately 150 million households worldwide are engaged in milk production; In Colombia, this activity is directly linked to the behavior of the climate that occurs in various areas. The milk obtained at milking is considered sterile; however, due to the widespread use of veterinary drugs and pesticides in dairy production and agricultural practices, milk is often contaminated with their residues. The chemical wastes with the highest bioavailability are organophosphate compounds, herbicides, fungicides, anthelmintics, antibiotics, detergents and disinfectants, nitrites, polychlorides, brominated polybiphenyls, dioxins, mycotoxins, heavy metals and somatotropin hormone, their consequences on health range from systemic cardiovascular effects respiratory, genotoxicity, birth defects, neurological, behavioral, reproductive and cancer. On the other hand, there are factors such as diet, anthropogenic and environmental activities, and productive and sanitary management, which represent potential risks for consumers.