CAFFEINE ANALOGUES WITH ANTIOXIDANT AND EPITHELIAL ANTICANCER POTENTIAL - Costa, Josivan da Silva;Ramos, Ryan da Silva;Rodrigues dos Santos, Cleydson Breno
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This book comprises an in silico study of caffeine analogues for obtaining drug candidates with potential antioxidant and epithelial anticancer activity. To this end, molecular modeling methods, statistical analysis, virtual screening techniques from pharmacophore, obtaining molecules in the ZINC database, validation of a computational method to obtain chemical-quantitative descriptors, as well as pharmacokinetic and toxicological analyses and molecular docking were used. As a result, two molecules were obtained with top characteristics that allow their indication for further analysis in order to experimentally prove the theoretical results obtained.…mehr

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Produktbeschreibung
This book comprises an in silico study of caffeine analogues for obtaining drug candidates with potential antioxidant and epithelial anticancer activity. To this end, molecular modeling methods, statistical analysis, virtual screening techniques from pharmacophore, obtaining molecules in the ZINC database, validation of a computational method to obtain chemical-quantitative descriptors, as well as pharmacokinetic and toxicological analyses and molecular docking were used. As a result, two molecules were obtained with top characteristics that allow their indication for further analysis in order to experimentally prove the theoretical results obtained.
Autorenporträt
Josivan da Silva Costa - Dottore di ricerca in biotecnologia e insegnante della scuola pubblica di Amapá.Ryan da Silva Ramos - PhD in biotecnologia.Karina da Silva lopes Costa - Farmacista.Cleydson Breno Rodrigues dos Santos - Dottore di ricerca in biotecnologia e professore all'UNIFAP.Williams Jorge da Cruz Macedo - PhD in chimica e professore all'UFRA.