3D Pharmacophore Based Virtual Screening of A2A Adenosine Receptor Antagonists

Title: 3D Pharmacophore Based Virtual Screening of A2A Adenosine Receptor Antagonists

Volume: 17 Issue: 3

Author(s): Jing Wei, Wanlu Qu, Yingda Ye and Qingzhi Gao

Affiliation:

Keywords: A2A adenosine receptor antagonists, docking, pharmacophore based virtual library screening

Abstract: A2A adenosine receptor (A2AAR) antagonists are considered to be useful in cancer immunotherapy and vaccines and as potential drugs for the treatment of Parkinsons disease. To better understand the chemical features responsible for the recognition mechanism and the receptor-ligand interaction, we performed the molecular docking study using selective A2AAR antagonists and combined with a pharmacophore based virtual library screening. The putative binding mode for the antagonists served as the templates for pharmacophore modeling and a virtually generated library have been screened for novel A2AAR antagonist development.

Cite this article as:

Wei Jing, Qu Wanlu, Ye Yingda and Gao Qingzhi, 3D Pharmacophore Based Virtual Screening of A2A Adenosine Receptor Antagonists, Protein & Peptide Letters 2010; 17(3) . https://dx.doi.org/10.2174/092986610790780260