Abstract
Parkinsons disease (PD) is a neurodegenerative disorder of central nervous system (CNS) that impaired the patient motor skills, speech and other functions. Adenosine A2A receptors have a unique cellular distribution in the neuron, which is used as a potential target for PD. Homology modeling was used to construct the 3-D structure of A2A using the known template (PDB: 2VT4), and the stereochemical quality was validated. Several effective antagonist drugs were selected and active amino acid residues in A2A were targeted on the basis of robust binding affinity between proteindrug interactions in molecular docking. Six antagonists, Bromocriptine, Cabergoline, Etilevodopa, Lysuride, Melevodopa and Pramipexole, were found more potent for binding and the active amino acids residues were identified (http://www.rcsb.org/pdb/) in A2A receptor. It could be used as the basis for rationale designing of novel antagonist drugs against Parkinsons diseas.
Keywords: Adenosine A2A, Parkinson's disease, antagonists, homology modeling, docking
Current Aging Science
Title: Homology Modeling of Adenosine A2A Receptor and Molecular Docking for Exploration of Appropriate Potent Antagonists for Treatment of Parkinsons Disease
Volume: 2 Issue: 2
Author(s): Vijai Singh and Pallavi Somvanshi
Affiliation:
Keywords: Adenosine A2A, Parkinson's disease, antagonists, homology modeling, docking
Abstract: Parkinsons disease (PD) is a neurodegenerative disorder of central nervous system (CNS) that impaired the patient motor skills, speech and other functions. Adenosine A2A receptors have a unique cellular distribution in the neuron, which is used as a potential target for PD. Homology modeling was used to construct the 3-D structure of A2A using the known template (PDB: 2VT4), and the stereochemical quality was validated. Several effective antagonist drugs were selected and active amino acid residues in A2A were targeted on the basis of robust binding affinity between proteindrug interactions in molecular docking. Six antagonists, Bromocriptine, Cabergoline, Etilevodopa, Lysuride, Melevodopa and Pramipexole, were found more potent for binding and the active amino acids residues were identified (http://www.rcsb.org/pdb/) in A2A receptor. It could be used as the basis for rationale designing of novel antagonist drugs against Parkinsons diseas.
Export Options
About this article
Cite this article as:
Singh Vijai and Somvanshi Pallavi, Homology Modeling of Adenosine A2A Receptor and Molecular Docking for Exploration of Appropriate Potent Antagonists for Treatment of Parkinsons Disease, Current Aging Science 2009; 2 (2) . https://dx.doi.org/10.2174/1874609810902020127
DOI https://dx.doi.org/10.2174/1874609810902020127 |
Print ISSN 1874-6098 |
Publisher Name Bentham Science Publisher |
Online ISSN 1874-6128 |
- 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
Related Articles
-
Neuroprotective Actions of Flavones and Flavonols: Mechanisms and Relationship to Flavonoid Structural Features
Central Nervous System Agents in Medicinal Chemistry Mediterranean Diet, Brain and Muscle: Olive Polyphenols and Resveratrol Protection in Neurodegenerative and Neuromuscular Disorders
Current Medicinal Chemistry Current Therapy and Computational Drug Designing Approaches for Neurodegenerative Diseases -with Focus on Alzheimer’s and Parkinson’s.
Current Signal Transduction Therapy Potential Application of Dietary Polyphenols from Red Wine to Attaining Healthy Ageing
Current Topics in Medicinal Chemistry Unique Medicinal Properties of Withania somnifera: Phytochemical Constituents and Protein Component
Current Pharmaceutical Design Motor and Non-Motor Features of Parkinson’s Disease – A Review of Clinical and Experimental Studies
CNS & Neurological Disorders - Drug Targets Peptide-Based Therapeutic Approaches for Treatment of the Polyglutamine Diseases
Current Medicinal Chemistry Calpain-Associated Proteolytic Regulation of the Stromal Microenvironment in Cancer
Current Pharmaceutical Design Alternate Strategies of Hsp90 Modulation for the Treatment of Cancer and Other Diseases
Current Topics in Medicinal Chemistry Targeting the Nogo-A Signalling Pathway to Promote Recovery Following Acute CNS Injury
Current Pharmaceutical Design Synthesis of Functionalized Chromenes from Meldrum’s Acid, 4- Hydroxycoumarin, and Ketones or Aldehydes
Combinatorial Chemistry & High Throughput Screening Molecular Strategies for the Treatment of Huntingtons Disease
Current Pharmacogenomics Genetic Features of MAPT, GRN, C9orf72 and CHCHD10 Gene Mutations in Chinese Patients with Frontotemporal Dementia
Current Alzheimer Research Alzheimers Disease and Oxidative Stress: The Old Problem Remains Unsolved
Current Medicinal Chemistry - Central Nervous System Agents Clinical Applications of Positron Emission Tomography (PET) Imaging in Medicine: Oncology, Brain Diseases and Cardiology
Current Radiopharmaceuticals Paring Down Obesity and Metabolic Disease by Targeting Inflammation and Oxidative Stress
Current Neurovascular Research Neuroprotection by Resveratrol in Diabetic Neuropathy: Concepts & Mechanisms
Current Medicinal Chemistry A Novel Prescription for Alzheimer’s Disease: Targeting Hypercoagulable States
Current Neurovascular Research Role of TREM2 in Alzheimer's Disease and its Consequences on β- Amyloid, Tau and Neurofibrillary Tangles
Current Alzheimer Research Biophysics of Parkinsons Disease: Structure and Aggregation of α- Synuclein
Current Protein & Peptide Science