Back close

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.

Publication Type : Journal Article

Publisher : Cent Nerv Syst Agents Med Chem

Source : Cent Nerv Syst Agents Med Chem, Volume 16, Issue 2, p.75-80 (2016)

Url : https://pubmed.ncbi.nlm.nih.gov/25687583/

Keywords : Antidepressive Agents, Humans, Isoenzymes, Molecular Docking Simulation, Monoamine oxidase, Monoamine Oxidase Inhibitors, Pyrazoles

Campus : Kochi

School : School of Pharmacy

Center : Research & Projects

Department : Pharmaceutical Chemistry & Analysis

Verified : Yes

Year : 2016

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 Research Publication : Bijo Mathew, Suresh, J., Anbazhagan, S., and Dev, S., “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.”, Cent Nerv Syst Agents Med Chem, vol. 16, no. 2, pp. 75-80, 2016.

Admissions Apply Now