IQ - Artigos publicados em periódicos

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Navegando IQ - Artigos publicados em periódicos por Assunto "1 H NMR spectroscopy"

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    Synthesis, anti-proliferative activity, theoretical and 1H NMR experimental studies of Morita–Baylis–Hillman adducts from isatin derivatives
    (2020) Brito, Vinícius Bruno Magalhães de; Santos, Gilmar Feliciano dos; Silva, Thiago David dos Santos; Souza, Júlia Leite Cordeiro de; Militão, Gardenia Carmen Gadelha; Martins, Felipe Terra; Silva, Fábio Pedrosa Lins; Oliveira, Boaz Galdino de; Araújo, Edigênia Cavalcante da Cruz; Vasconcellos, Mário Luiz Araujo de Almeida
    Quaternary or spirocyclic 3-substituted-3-hydroxy-2-oxindole is considered a privileged scaffold. In other words, it is a molecular core present on several compounds with a wide spectrum of biological activities. Among its precursors, activated ketones (isatin nucleus) can be used as interesting starting points to Morita–Baylis–Hillman adducts derivatives, a class of compounds with good cytotoxic potential. In this paper, we present the synthesis, anti-proliferative activity against lung cancer cell line and a theoretical conformational study of 21 of Morita–Baylis–Hillman adducts from isatin derivatives, by DFT quantum chemical calculations, followed by a SAR and QSAR analysis. Besides, an efficient synthetic protocol and good biological activity profile were highlighted interesting observations about 1H NMR experimental spectra, molecular modeling results and crystallographic data available.