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.
Keywords: Antidepressant, pyrazoline, molecular docking, monoamine oxidase.
Central Nervous System Agents in Medicinal Chemistry
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.
Export Options
About this article
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
DOI https://dx.doi.org/10.2174/1871524915666150216123707 |
Print ISSN 1871-5249 |
Publisher Name Bentham Science Publisher |
Online ISSN 1875-6166 |
- Author Guidelines
- Graphical Abstracts
- Fabricating and Stating False Information
- Research Misconduct
- Post Publication Discussions and Corrections
- Publishing Ethics and Rectitude
- Increase Visibility of Your Article
- Archiving Policies
- Peer Review Workflow
- Order Your Article Before Print
- Promote Your Article
- Manuscript Transfer Facility
- Editorial Policies
- Allegations from Whistleblowers
- Announcements
Related Articles
-
Application of Monoterpenoids and their Derivatives for Treatment of Neurodegenerative Disorders
Current Medicinal Chemistry Natural Animal Models of Neurodegenerative Protein Misfolding Diseases
Current Pharmaceutical Design Meet Our Editorial Board Member
Current Neuropharmacology Postoperative COVID-19 Pneumonia in an Asymptomatic Patient: A Case Report
Infectious Disorders - Drug Targets Calcium Channel Mutations in Cardiac Arrhythmia Syndromes
Current Molecular Pharmacology Progressive Supranuclear Palsy: Neuropsychopathological, Therapeutical and Bioethical Aspects
Current Alzheimer Research Endogenous Cannabinoid and Opioid Systems and their Role in Nicotine Addiction
Current Drug Targets Prospective Teratology of Retinoic Acid Metabolic Blocking Agents (RAMBAs) and Loss of CYP26 Activity
Current Pharmaceutical Design Evaluation of the Effect of Nimodipine o.d. (Extended Release) vs Nimodipine t.i.d. in the Treatment of Peripheral Vertigo
Current Drug Delivery Yishen Huazhuo Decoction Induces Autophagy to Promote the Clearance of Aβ<sub>1-42</sub> in SAMP8 Mice: Mechanism Research of a Traditional Chinese Formula Against Alzheimer’s Disease
CNS & Neurological Disorders - Drug Targets n-3 Polyunsaturated Fatty Acids as Signal Transduction Modulators and Therapeutical Agents in Cancer
Current Signal Transduction Therapy Meet Our Regional Editor
Protein & Peptide Letters Contemporary Anticholinesterase Pharmaceuticals of Natural Origin and Their Synthetic Analogues for the Treatment of Alzheimers Disease
Recent Patents on CNS Drug Discovery (Discontinued) Ultrasound Contrast Agents: Updated Data on Safety Profile
Current Pharmaceutical Design Melanocortins and their Receptors and Antagonists
Current Drug Targets Ameliorative Effect of Trans-Sinapic Acid and its Protective Role in Cerebral Hypoxia in Aluminium Chloride Induced Dementia of Alzheimer's Type
CNS & Neurological Disorders - Drug Targets Calpains: Potential Targets for Alternative Chemotherapeutic Intervention Against Human Pathogenic Trypanosomatids
Current Medicinal Chemistry The Food-gut Human Axis: The Effects of Diet on Gut Microbiota and Metabolome
Current Medicinal Chemistry Natural Terpenoids as Neuroinflammatory Inhibitors in LPS-stimulated BV-2 Microglia
Mini-Reviews in Medicinal Chemistry Current Management of Traumatic Rupture of the Descending Thoracic Aorta
Current Cardiology Reviews