Browsing by Author Reyes-Chaparro, A.

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  • Authors: Reyes-Chaparro, A.;  Advisor: -;  Participants: Lopez, N. S. Flores-; Guerrero, F. Quintanilla-; Nicolás-Álvarez, Dulce Estefanía; Hernandez-Martinez, A. R. (2023)

  • A total of 10,100 chalcone-derived molecules were obtained (Additional files 1, 2, and 3); then different screening techniques were used for physicochemical properties, molecular docking, molecular dynamics, and DFT calculations to select the best candidates. Drugs used as MAO-A inhibitors were evaluated as a reference comparison.