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.