Development of selective and reversible pyrazoline based MAO-B inhibitors: virtual screening, synthesis and biological evaluation.

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Mishra N, Sasmal D

Development of selective and reversible pyrazoline based MAO-B inhibitors: virtual screening, synthesis and biological evaluation.

Bioorg Med Chem Lett. 2011 Apr 1;21(7):1969-73. doi: 10.1016/j.bmcl.2011.02.030. Epub 2011 Feb 13.

PubMed ID

21377879 [ View in PubMed

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Abstract

In an effort to develop selective MAO (monoamine oxidase) B inhibitors, structure based virtual screening was initiated on an in-house library. Top 10 HITS were synthesized and evaluated for MAO (A and B) inhibitory activity, both against human and rat enzymes. All the compounds were found selective, reversible and active in nM range (100 times more potent than selegeline) towards MAO-B. Outstanding co-relation between predicted and experimental K(i) values were observed.

DrugBank Data that Cites this Article

Binding Properties

Drug	Target	Property	Measurement	pH	Temperature (°C)
Selegiline	Amine oxidase [flavin-containing] A	Ki (nM)	67250	N/A	N/A	Details
Selegiline	Amine oxidase [flavin-containing] B	Ki (nM)	1960	N/A	N/A	Details