Abstract
Background: Ursolic acid, a bioactive pentacyclic triterpenoid had been evaluated for its interaction with the neurological targets associated with antidepressant drugs. Current study was to mechanistically analyze the probable site of action for ursolic acid on the target proteins.
Methods: Ursolic acid has been docked with monoamine oxidase isoforms: MAO-A and MAO-B, LeuT (homologue of SERT, NET, DAT) and Human C-terminal CAP1 using GRIP docking methodology.
Results: Results revealed its non-selective antidepressant action with strong binding affinity towards LeuT and MAO-A proteins, which was found to be comparable with the reference ligands like chlorgyline, clomipramine, sertraline and deprenyl/selegiline.
Conclusion: Significant binding affinity of ursolic acid was seen with MAO-A, which indicated its potential role in other neurological disorders, for example, Alzheimer's disease and Parkinson disease besides depression.
Keywords: Ursolic acid, MAO-A inhibitor, MAO-B inhibitor, adenylyl cylase inhibitor, LeuT inhibitor, docking studies.
Graphical Abstract
Current Neuropharmacology
Title:In Silico Studies Revealed Multiple Neurological Targets for the Antidepressant Molecule Ursolic Acid
Volume: 15 Issue: 8
Author(s): Rajeev K. Singla, Luciana Scotti and Ashok K. Dubey*
Affiliation:
- Division of Biological Sciences and Engineering, Netaji Subhas Institute of Technology, Sector-3, Dwarka, New Delhi, 110078,India
Keywords: Ursolic acid, MAO-A inhibitor, MAO-B inhibitor, adenylyl cylase inhibitor, LeuT inhibitor, docking studies.
Abstract: Background: Ursolic acid, a bioactive pentacyclic triterpenoid had been evaluated for its interaction with the neurological targets associated with antidepressant drugs. Current study was to mechanistically analyze the probable site of action for ursolic acid on the target proteins.
Methods: Ursolic acid has been docked with monoamine oxidase isoforms: MAO-A and MAO-B, LeuT (homologue of SERT, NET, DAT) and Human C-terminal CAP1 using GRIP docking methodology.
Results: Results revealed its non-selective antidepressant action with strong binding affinity towards LeuT and MAO-A proteins, which was found to be comparable with the reference ligands like chlorgyline, clomipramine, sertraline and deprenyl/selegiline.
Conclusion: Significant binding affinity of ursolic acid was seen with MAO-A, which indicated its potential role in other neurological disorders, for example, Alzheimer's disease and Parkinson disease besides depression.
Export Options
About this article
Cite this article as:
Singla K. Rajeev, Scotti Luciana and Dubey K. Ashok*, In Silico Studies Revealed Multiple Neurological Targets for the Antidepressant Molecule Ursolic Acid, Current Neuropharmacology 2017; 15 (8) . https://dx.doi.org/10.2174/1570159X14666161229115508
DOI https://dx.doi.org/10.2174/1570159X14666161229115508 |
Print ISSN 1570-159X |
Publisher Name Bentham Science Publisher |
Online ISSN 1875-6190 |
- 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
- Forthcoming Thematic Issues
Related Articles
-
MicroRNAs as Diagnostic, Prognostic and Predictive Biomarkers of Ovarian Cancer
Recent Patents on Biomarkers Single Nucleotide Polymorphisms (SNPs): History, Biotechnological Outlook and Practical Applications
Current Pharmacogenomics Drug Design, Synthesis and In Vitro Evaluation of Substituted Benzofurans as Hsp90 Inhibitors
Medicinal Chemistry TC > 0.05 as a Pharmacokinetic Parameter of Paclitaxel for Therapeutic Efficacy and Toxicity in Cancer Patients
Recent Patents on Anti-Cancer Drug Discovery The Interaction of Zinc Oxide/Green Tea Extract Complex Nanoparticles and its Effect on Monosodium Glutamate Toxicity in Liver of Rats
Current Pharmaceutical Biotechnology Postmortem-Assessed Impairment of Neuronal Activity in Depression: The Dominant Impact of Suicide
CNS & Neurological Disorders - Drug Targets Peptides Targeting Estrogen Receptor Alpha-Potential Applications for Breast Cancer Treatment
Current Pharmaceutical Design 1,4-Dihydropyridines as Tools for Mitochondrial Medicine Against Oxidative Stress and Associated Metabolic Disorders
Current Organic Chemistry Exosomal microRNAs as Potentially Useful Tools in Cancer Biomarker Discovery
Recent Patents on Biomarkers Recent Approaches in Chemoprevention of Prostate Cancer
Current Cancer Drug Targets Effect of Electromagnetic Radiations on Neurodegenerative Diseases- Technological Revolution as a Curse in Disguise
CNS & Neurological Disorders - Drug Targets Polynuclear Ruthenium, Osmium and Gold Complexes. The Quest for Innovative Anticancer Chemotherapeutics
Current Topics in Medicinal Chemistry Emergence of Ad-Mediated Combination Therapy Against Cancer: What to Expect?
Current Cancer Drug Targets Subject Index Volume 6
Mini-Reviews in Medicinal Chemistry Passive Targeting of Cyclophosphamide-Loaded Carbonate Apatite Nanoparticles to Liver Impedes Breast Tumor Growth in a Syngeneic Model
Current Pharmaceutical Design The Chemistry and Bio-Medicinal Significance of Pyrimidines & Condensed Pyrimidines
Current Topics in Medicinal Chemistry Transdermal Drug Delivery: A Step towards Treatment of Cancer
Recent Patents on Anti-Cancer Drug Discovery The Association of Sleep Disorders, Obesity and Sleep-Related Hypoxia with Cancer
Current Genomics Hypericin and its Derivatives Act as Radiosensitizing Agents That Can Inhibit Tumor Initiating Cell Viability
Clinical Cancer Drugs Manipulation of the Immune System for Cancer Defeat: A Focus on the T Cell Inhibitory Checkpoint Molecules
Current Medicinal Chemistry