Proposed interaction of some novel antidepressant pyrazolines against monoamine oxidase isoforms. Molecular docking studies and PASS assisted in silico approach

The validity of pyrazoline heterocyclic core for the design of inhibitors of monoamine oxidase has been previously established. Recently our group synthesized some novel thiophene based pyrazoline-carbothioamides and found good antidepressant activity. The objective of the current study is to identify the reason for such biological activities of the molecules by using molecular docking studies. In the molecular modeling studies, it is revealed that most of the antidepressant molecules showed good binding affinity towards MAO-A than MAO-B that is an effective target for the treatment of depression.