Irreversible Inhibition of Monoamine Oxidase B by the Antiparkinsonian Medicines Rasagiline and Selegiline: A Computational Study

2011 ◽  
Vol 2011 (32) ◽  
pp. 6419-6433 ◽  
Author(s):  
Rok Borštnar ◽  
Matej Repič ◽  
Mojca Kržan ◽  
Janez Mavri ◽  
Robert Vianello
Keyword(s):  
Monoamine Oxidase ◽  
Computational Study ◽  
Monoamine Oxidase B ◽  
Irreversible Inhibition

scholarly journals Oxidation and enzyme-activated irreversible inhibition of rat liver monoamine oxidase-B by 1-methyl-4-phenyl-1,2,3,6-tetrahydropyridine (MPTP)

1986 ◽  
Vol 240 (2) ◽  
pp. 379-383 ◽  
Author(s):  
K F Tipton ◽  
J M McCrodden ◽  
M B Youdim
Keyword(s):  
Monoamine Oxidase ◽  
Rat Liver ◽  
Maximum Velocity ◽  
Monoamine Oxidase B ◽  
Half Time ◽  
Inhibitory Process ◽  
Irreversible Inhibitor ◽  
Irreversible Inhibition ◽  
Km Value ◽  
Lower Maximum

The compound 1-methyl-4-phenyl-1,2,3,6-tetrahydropyridine (MPTP), which produces symptoms resembling Parkinson's disease in humans, acts both as a substrate and an enzyme-activated irreversible inhibitor of the B-form of monoamine oxidase from rat liver. Analysis of the inhibitory process showed the compound to be considerably more efficient as a substrate than as an irreversible inhibitor, with about 17000 mol of product being formed per mol of enzyme inactivated. The half-time of the inhibitory process was about 22 min. With the A-form of the enzyme, the compound had a lower Km value and a considerably lower maximum velocity than the corresponding values obtained with the B-form. Under the conditions used in the present work the inhibition of the A-form of the enzyme was largely reversible.

scholarly journals Computational Study of the pKa Values of Potential Catalytic Residues in the Active Site of Monoamine Oxidase B

2012 ◽  
Vol 8 (10) ◽  
pp. 3864-3870 ◽  
Author(s):  
Rok Borštnar ◽  
Matej Repič ◽  
Shina Caroline Lynn Kamerlin ◽  
Robert Vianello ◽  
Janez Mavri
Keyword(s):  
Monoamine Oxidase ◽  
Active Site ◽  
Computational Study ◽  
Monoamine Oxidase B ◽  
Pka Values ◽  
Catalytic Residues

Ligand-Based Virtual Screening Using Tailored Ensembles: A Prioritization Tool for Dual A2A Adenosine Receptor Antagonists / Monoamine Oxidase B Inhibitors

2016 ◽  
Vol 22 (21) ◽  
pp. 3082-3096 ◽  
Author(s):  
Aliuska Morales Helguera ◽  
Yunierkis Perez-Castillo ◽  
M. Natália D.S. Cordeiro ◽  
Eduardo Tejera ◽  
César Paz-y-Miño ◽  
...  
Keyword(s):  
Virtual Screening ◽  
Monoamine Oxidase ◽  
Adenosine Receptor ◽  
Monoamine Oxidase B ◽  
Receptor Antagonists ◽  
A2a Adenosine Receptor
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