Development of selective and reversible pyrazoline based MAO-A inhibitors: Synthesis, biological evaluation and docking studies

Muthukumar Karuppasamy; Manojkumar Mahapatra; Samiye Yabanoglu; Gulberk Ucar; Barij Nayan Sinha; Arijit Basu; Nibha Mishra; Ashoke Sharon; Umasankar Kulandaivelu; Venkatesan Jayaprakash

doi:10.1016/j.bmc.2010.01.043

Development of selective and reversible pyrazoline based MAO-A inhibitors: Synthesis, biological evaluation and docking studies

Bioorg Med Chem. 2010 Mar 1;18(5):1875-81. doi: 10.1016/j.bmc.2010.01.043. Epub 2010 Jan 25.

Authors

Muthukumar Karuppasamy¹, Manojkumar Mahapatra, Samiye Yabanoglu, Gulberk Ucar, Barij Nayan Sinha, Arijit Basu, Nibha Mishra, Ashoke Sharon, Umasankar Kulandaivelu, Venkatesan Jayaprakash

Affiliation

¹ Department of Pharmaceutical Sciences, Birla Institute of Technology, Mesra, Ranchi 835215, India.

PMID: 20149663
DOI: 10.1016/j.bmc.2010.01.043

Abstract

3,5-Diaryl pyrazolines analogs were synthesized and evaluated for their monoamine oxidase (MAO) inhibitory activity. The compounds were found reversible and selective towards MAO-A with selectivity index in the magnitude of 10(3)-10(5). The docking studies were carried out to gain further structural insights of the binding mode and possible interactions with the active site of MAO-A. Interestingly, the theoretical (K(i)) values obtained by molecular docking studies were in congruence with their experimental (K(i)) values.

Publication types

Research Support, Non-U.S. Gov't

MeSH terms

Animals
Binding Sites
Computer Simulation
Kinetics
Monoamine Oxidase / chemistry*
Monoamine Oxidase / metabolism
Monoamine Oxidase Inhibitors / chemical synthesis*
Monoamine Oxidase Inhibitors / chemistry
Monoamine Oxidase Inhibitors / pharmacology
Pyrazoles / chemical synthesis
Pyrazoles / chemistry*
Pyrazoles / pharmacology
Rats
Structure-Activity Relationship

Substances

Monoamine Oxidase Inhibitors
Pyrazoles
Monoamine Oxidase