Monoamine Oxidase Isoform-Dependent Tautomeric Influence in the Recognition of 3,5-Diaryl Pyrazole Inhibitors
journal contribution
posted on 2007-02-08, 00:00 authored by Franco Chimenti, Rossella Fioravanti, Adriana Bolasco, Fedele Manna, Paola Chimenti, Daniela Secci, Olivia Befani, Paola Turini, Francesco Ortuso, Stefano AlcaroA series of 3,5-diaryl pyrazoles were prepared and assayed
for their ability to inhibit reversibly monoamine oxidase-A (MAO-A)
and monoamine oxidase B (MAO-B). Several compounds show
inhibitory activity with concentration values in the nanomolar range.
A computational work was carried out on the two most selective
inhibitors that have tautomeric pyrazole forms. The binding free energies
of these compounds for each MAO isoform were influenced by the
tautomeric equilibria.
