ACS MEDICINAL CHEMISTRY LETTERS, vol.7, no.1, pp.56-61, 2016 (SCI-Expanded)
A series of new 2-methoxy-4-(5-pheny1-4,5dihydro-1H-pyrazol-3-yl)phenolderivatives, 4-13, were synthesized and tested for their human MAO inhibitory activity. All the compounds were found to be selective and reversible toward hMAO-A except 4, a selective inhibitor of hMAO-B and 12, a nonselective inhibitor. Compound 7 was found to be a potent inhibitor of hMAO-A with K-i = 0.06 +/- 0.003 mu M and was having selectivity index of (SI = 1.02 X 10(-5)). It was found to be better than standard drug, Moclobemide (hMAO-A with K = 0.11 +/- 0.01 mu M) with selectivity index of SI = 0.049. Molecular docking simulation was carried out to understand the crucial interactions responsible for selectivity and potency.