Molecular Docking Studies of Some Novel Antidepressant 5-Substituted Phenyl-3-(Thiophen-2-yl)-4, 5-Dihydro-1h-Pyrazole-1-Carboxamides Against Monoamine Oxidase Isoforms

Title:Molecular Docking Studies of Some Novel Antidepressant 5-Substituted Phenyl-3-(Thiophen-2-yl)-4, 5-Dihydro-1h-Pyrazole-1-Carboxamides Against Monoamine Oxidase Isoforms

Volume: 16 Issue: 2

Author(s): Bijo Mathew, Jerad Suresh, Sockalingam Anbazhagan and Sanal Dev

Affiliation:

Keywords: Antidepressant, pyrazoline, molecular docking, monoamine oxidase.

Abstract: Previously we have reported 5-substituted phenyl-3-(thiophen-2-yl)-4, 5-dihydro-1hpyrazole- 1-carboxamides as a novel class of antidepressants. The aim of the current study is to proposing the reason for such biological activities of the molecules by using molecular docking studies using AutoDock4.2. Using molecular docking studies, we propose that most of the antidepressant molecules showed good binding affinity towards MAO-A than MAO-B which is an effective target for the treatment of depression. The R and S form of thiophene based pyrazolines-carboxamides showed a binding energy and inhibition constant between 7.93 to -8.76 and 1.54 to 0.38 μM toward MAO-A and -6.39 to -8.51 and 20.84 to 0.57 μM toward MAO-B respectively.

Cite this article as:

Mathew Bijo, Suresh Jerad, Anbazhagan Sockalingam and Dev Sanal, Molecular Docking Studies of Some Novel Antidepressant 5-Substituted Phenyl-3-(Thiophen-2-yl)-4, 5-Dihydro-1h-Pyrazole-1-Carboxamides Against Monoamine Oxidase Isoforms, Central Nervous System Agents in Medicinal Chemistry 2016; 16 (2) . https://dx.doi.org/10.2174/1871524915666150216123707