Homology Modeling of Adenosine A2A Receptor and Molecular Docking for Exploration of Appropriate Potent Antagonists for Treatment of Parkinsons Disease

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.

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