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.
Keywords: A2A adenosine receptor antagonists, docking, pharmacophore based virtual library screening
Protein & Peptide Letters
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.
Export Options
About this article
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
DOI https://dx.doi.org/10.2174/092986610790780260 |
Print ISSN 0929-8665 |
Publisher Name Bentham Science Publisher |
Online ISSN 1875-5305 |
- 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
-
Intramolecular Immunological Signal Hypothesis Revived - Structural Background of Signalling Revealed by Using Congo Red as a Specific Tool
Mini-Reviews in Medicinal Chemistry Burkholderia mallei and Burkholderia pseudomallei: The Causative Micro-organisms of Glanders and Melioidosis
Recent Patents on Anti-Infective Drug Discovery Peripheral TRPV1 Receptors As Targets for Drug Development: New Molecules and Mechanisms
Current Pharmaceutical Design Gliogenesis and Glial Pathology in Depression
CNS & Neurological Disorders - Drug Targets Dasabuvir: A Non-Nucleoside Inhibitor of NS5B for the Treatment of Hepatitis C Virus Infection
Reviews on Recent Clinical Trials Macrocyclic Lactones in the Treatment and Control of Parasitism in Small Companion Animals
Current Pharmaceutical Biotechnology From Protein-Protein Interactions to Rational Drug Design: Are Computational Methods Up to the Challenge?
Current Topics in Medicinal Chemistry Perioperative Management of Obese Parturients
Current Women`s Health Reviews Imaging Studies in Focal Dystonias: A Systems Level Approach to Studying a Systems Level Disorder
Current Neuropharmacology Consensus Guideline Based Therapeutic Drug Monitoring (TDM) in Psychiatry and Neurology
Current Drug Delivery Preface
Current Psychopharmacology A Common Biological Mechanism in Cancer and Alzheimers Disease?
Current Alzheimer Research Child Welfare and Juvenile Justice in Lithuania: Historical and Critical Review
Adolescent Psychiatry Anti-Infective and Anti-Tumor Agents Based on the Depletion of Immune Suppressive Effects
Current Medicinal Chemistry Biochemical and Therapeutic Effects of Antioxidants in the Treatment of Alzheimers Disease, Parkinsons Disease, and Amyotrophic Lateral Sclerosis
Current Drug Targets - CNS & Neurological Disorders Perception or Reality of Body Weight: Which Matters the Most to Adolescents’ Emotional Well-being?
Current Psychiatry Reviews Role of Defensins and Cathelicidin LL37 in Auto-Immune and Auto- Inflammatory Diseases
Current Pharmaceutical Biotechnology Orange Pulp Increases Antioxidant Status and Improves Bone Quality in Orchidectomized Rats
Current Nutrition & Food Science Meet Our Associate Editor
Central Nervous System Agents in Medicinal Chemistry Editorial [Hot Topic: Protein Kinase Inhibitors for the Treatment of Inflammatory Disease (Guest Editor: Mark R. Player)]
Current Topics in Medicinal Chemistry