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

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 103–105. 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 (Ki) values obtained by molecular docking studies were in congruence with their experimental (Ki) values.

Experimental (exp) and predicted (pred) pKi values of the synthesized compounds against MAO-A and MAO-B.Figure optionsDownload as PowerPoint slide