Synthesis,Biological Evaluation,and Molecular Simulation of Chalcones and Aurones as Selective MAO‐B Inhibitors |
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| Authors: | Nicole Morales‐Camilo Cristian O. Salas Claudia Sanhueza Christian Espinosa‐Bustos Silvia Sepúlveda‐Boza Miguel Reyes‐Parada Fernando Gonzalez‐Nilo Marcos Caroli‐Rezende Angélica Fierro |
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| Affiliation: | 1. Departamento de Química Orgánica, Facultad de Química, Pontificia Universidad Católica de Chile, Santiago de Chile, Chile;2. Escuela de Medicina, Facultad de Ciencias Médicas, Universidad de Santiago, Santiago, Chile;3. Facultad de Ciencias de la Salud, Universidad Autónoma de Chile, Santiago 8910124, Chile;4. Universidad Andrés Bello, Facultad de Ciencias Biológicas, Centro de Bioinformática y Biología Integrativa, Santiago 8370146, Chile;5. Departamento de Química de los Materiales, Facultad de Química y Biología, Universidad de Santiago de Chile, Santiago, Chile |
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| Abstract: | A series of chalcones and aurones were synthesized and evaluated in vitro as monoamine oxidase inhibitors (MAOi). Our results show that aurones, which had not been previously reported as MAOi, are MAO‐B inhibitors. Thus, both families inhibited selectively the B isoform of MAO in the micromolar range, offering novel scaffolds for the design of new and potent MAO inhibitors. The main structural requirements for their activity were characterized with the aid of 3D‐QSAR and docking studies. |
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| Keywords: | aurones chalcones molecular modeling monoamine oxidase inhibitors
QSAR
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