New pyrrole inhibitors of monoamine oxidase: synthesis, biological evaluation, and structural determinants of MAO-A and MAO-B selectivity

…, M Artico, A Lavecchia, E Novellino…

Index: La Regina, Giuseppe; Silvestri, Romano; Artico, Marino; Lavecchia, Antonio; Novellino, Ettore; Befani, Olivia; Turini, Paola; Agostinelli, Enzo Journal of Medicinal Chemistry, 2007 , vol. 50, # 5 p. 922 - 931

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Citation Number: 83

Abstract

A series of new pyrrole derivatives have been synthesized and evaluated for their monoamine oxidase (MAO) A and B inhibitory activity and selectivity. N-Methyl, N-(benzyl), N-(pyrrol-2-ylmethyl) amine (7) and N-(2-benzyl), N-(1-methylpyrrol-2-ylmethyl) amine (18) were the most selective MAO-B (7, SI= 0.0057) and MAO-A (18, SI= 12500) inhibitors, respectively. Docking and molecular dynamics simulations gave structural insights into the ...