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Recent advances in the in-silico structure-based and ligand-based approaches for the design and discovery of agonists and antagonists of A2A adenosine receptor

Author(s):

Nikhil Agrawal*, Balakumar Chandrasekaran and Amal Al-Aboudi  

Abstract:


A2A receptor belongs to the family of GPCR proteins, which are the largest membrane proteins, family. Studies of last few decades have shown the therapeutic applications of A2A receptor in various diseases. In the present review, we have discussed the recent progress in-silico studies of A2A receptor. Herein, we describe the different structures of A2A receptors, the discovery of new agonists and antagonists using virtual-screening/docking, pharmacophore modeling, QSAR based pharmacophore modeling. We have also discussed various molecular dynamics (MD) simulations of A2A receptor in complexes with ligands.

Keywords:

A2A receptor, GPCR, Virtual Screening, Pharmacophore modeling, MD simulations.

Affiliation:

College of Health Sciences, University of KwaZulu-Natal, P. O. Box: 4000, Westville, Durban , Faculty of Pharmacy, Philadelphia University, P. O. Box: 19392 – Amman, Faculty of Science, The University of Jordan, Amman, 11942



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