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 |
Call for Papers in Thematic Issues
Advancing the Understanding of Regulatory Mechanisms and Diseases Through Biochemistry and Structural Biology
Modern research is increasingly interested in understanding the regulatory mechanisms and diseases through various integrative approaches. Biochemistry and structural biology offer valuable atomic-level insights that help unravel the complexities of cellular regulatory mechanisms and their association with health and disease. The unique advantage of these fields is that they provide ...read more
Therapeutic Proteins and Peptides of Plant Origin
Plants are still the major repository of biologically active substances. In the last two decades, however, natural peptides and proteins of plant origin have gained increasing attention due to their pharmacological activities over a variety of human illnesses, including those mediated by infections and parasitosis and those involving different cellular ...read more
Related Journals

- Author Guidelines
- Bentham Author Support Services (BASS)
- 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
-
Neuroimaging Correlates of 22q11.2 Deletion Syndrome: Implications for Schizophrenia Research
Current Topics in Medicinal Chemistry Membrane Insertion of New AMPA Receptors and LTP Induced by Glycine is Prevented by Blocking NR2A-Containing NMDA Receptors in the Rat Visual Cortex In Vitro
Current Neurovascular Research The Utility of Antiemetics in the Prevention and Treatment of Postoperative Nausea and Vomiting in Patients Scheduled for Laparoscopic Cholecystectomy
Current Pharmaceutical Design Mechanisms of Melatonin in Alleviating Alzheimer’s Disease
Current Neuropharmacology Drug Evolution Concept in Drug Design: 2. Chimera Method
Medicinal Chemistry An Updated Overview of The Complex Clinical Spectrum of Tourette Syndrome
Current Drug Therapy Current Methods in the Automatic Tissue Segmentation of 3D Magnetic Resonance Brain Images
Current Medical Imaging Association Between Atrophy of the Caudate Nuclei, Global Brain Atrophy, Cerebral Small Vessel Disease and Mild Parkinsonian Signs in Neurologically and Cognitively Healthy Subjects Aged 45-84 Years: A Crosssectional Study
Current Alzheimer Research The Technology Development Studio of the MPI-CBG: An Open Access Cell-Based Screening Facility
Combinatorial Chemistry & High Throughput Screening Integrating Virtual Screening and Combinatorial Chemistry for Accelerated Drug Discovery
Combinatorial Chemistry & High Throughput Screening Self-management Programmes for People with Osteoarthritis: A Systematic Review and Meta-analysis
Current Rheumatology Reviews Advances in Ocular Iontophoresis Research
Recent Patents on Nanomedicine Omega 3 Fatty Acids: Novel Neurotherapeutic Targets for Cognitive Dysfunction in Mood Disorders and Schizophrenia?
Current Neuropharmacology P-selectin Cell Adhesion Molecule in Inflammation, Thrombosis, Cancer Growth and Metastasis
Current Medicinal Chemistry The Bullying Prevention Plan: An Approach to Youth who Bully Others
Adolescent Psychiatry Rofecoxib in Patients with Mild Cognitive Impairment: Further Analyses of Data from a Randomized, Double-Blind, Trial
Current Alzheimer Research Anti-inflammatory Effects of Dietary Antioxidants
Current Medicinal Chemistry - Anti-Inflammatory & Anti-Allergy Agents Scope and Applications of Nanomedicines for the Management of Multiple Sclerosis
Current Drug Metabolism Crisis and the Neurobiology Involved in the Development of Consequent Mental Illness
Current Psychiatry Reviews Initiation of Dialysis: A Mini-Review of a Changing Paradigm
Cardiovascular & Hematological Disorders-Drug Targets