Abstract
Chemokine receptors are G protein-coupled receptors that contain seven trans-membrane domains. CXCR4 and CCR5 as major co-receptors for HIV-1 entry into host cells are implicated in cancer and inflammation. They have been attractive targets for the pharmaceutical industry basing on their roles in HIV disease. Homology modeling, molecular docking, molecular dynamics, Molecular Mechanics/Generalized Born Surface Area and many other computational methods are applied to illustrate the structure, function and binding site of GPCR. Moreover, the high resolution crystal structures of CXCR4 and CCR5 have provided extremely valuable structural information and receptor activation mechanisms, enable structure-based drug discovery for the treatment of HIV-1 infection. We also describe the recent progress about the small molecule antagonists of CXCR4 and CCR5 and the interaction between GPCR and their ligands predicted by molecular docking and molecular dynamics methods. Future research questions and further investigations are outlined to highlight some researches that may be relevant to the advancement of therapies targeting the important receptor related with HIV.
Keywords: CCR5, computational methods, crystal structure, CXCR4, HIV, small molecular antagonists.
Current Pharmaceutical Biotechnology
Title:Progress in Studies of Structure, Mechanism and Antagonists Interaction of GPCR Co-Receptors for HIV
Volume: 15 Issue: 10
Author(s): Bing Zhong, Yunmei Zhen, Guangrong Qin, Huaiyu Yang, Hualiang Jiang, Guanghui Chen and Kunqian Yu
Affiliation:
Keywords: CCR5, computational methods, crystal structure, CXCR4, HIV, small molecular antagonists.
Abstract: Chemokine receptors are G protein-coupled receptors that contain seven trans-membrane domains. CXCR4 and CCR5 as major co-receptors for HIV-1 entry into host cells are implicated in cancer and inflammation. They have been attractive targets for the pharmaceutical industry basing on their roles in HIV disease. Homology modeling, molecular docking, molecular dynamics, Molecular Mechanics/Generalized Born Surface Area and many other computational methods are applied to illustrate the structure, function and binding site of GPCR. Moreover, the high resolution crystal structures of CXCR4 and CCR5 have provided extremely valuable structural information and receptor activation mechanisms, enable structure-based drug discovery for the treatment of HIV-1 infection. We also describe the recent progress about the small molecule antagonists of CXCR4 and CCR5 and the interaction between GPCR and their ligands predicted by molecular docking and molecular dynamics methods. Future research questions and further investigations are outlined to highlight some researches that may be relevant to the advancement of therapies targeting the important receptor related with HIV.
Export Options
About this article
Cite this article as:
Zhong Bing, Zhen Yunmei, Qin Guangrong, Yang Huaiyu, Jiang Hualiang, Chen Guanghui and Yu Kunqian, Progress in Studies of Structure, Mechanism and Antagonists Interaction of GPCR Co-Receptors for HIV, Current Pharmaceutical Biotechnology 2014; 15 (10) . https://dx.doi.org/10.2174/1389201015666141031120836
DOI https://dx.doi.org/10.2174/1389201015666141031120836 |
Print ISSN 1389-2010 |
Publisher Name Bentham Science Publisher |
Online ISSN 1873-4316 |
Call for Papers in Thematic Issues
Artificial Intelligence in Bioinformatics
Bioinformatics is an interdisciplinary field that analyzes and explores biological data. This field combines biology and information system. Artificial Intelligence (AI) has attracted great attention as it tries to replicate human intelligence. It has become common technology for analyzing and solving complex data and problems and encompasses sub-fields of machine ...read more
- 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
-
Editorial [Hot Topic: Pediatricians Role in Tobacco Prevention and Control (Guest Editors: Norman Hymowitz, Dana Best and Joseph V. Schwab)]
Current Pediatric Reviews 2-Arylindoles: A Privileged Molecular Scaffold with Potent, Broad-Ranging Pharmacological Activity
Current Medicinal Chemistry Pathophysiology of Sepsis and Recent Patents on the Diagnosis, Treatment and Prophylaxis for Sepsis
Recent Patents on Inflammation & Allergy Drug Discovery Patent Selections
Recent Patents on Inflammation & Allergy Drug Discovery Nanodiagnostic Attainments and Clinical Perspectives on C-Reactive Protein: Cardiovascular Disease Risks Assessment
Current Medicinal Chemistry The Electrocardiographic Manifestations of Arrhythmogenic Right Ventricular Dysplasia
Current Cardiology Reviews Routine use of Corticosteroids to Prevent Inflammation Response in Cardiac Surgery
Recent Patents on Cardiovascular Drug Discovery Potential Health Benefits of Berries
Current Nutrition & Food Science Myelin Sheaths and Autoimmune Response Induced by Myelin Proteins and Alphaviruses. I. Physicochemical Background
Current Medicinal Chemistry Novel Aspects in the Pathogenesis of Nonalcoholic Steatohepatitis
Current Molecular Medicine Nano Hydroxyapatite (nano-HAp): A Potential Bioceramic for Biomedical Applications
Current Nanomaterials ULK1 Plays a Critical Role in AMPK-Mediated Myocardial Autophagy and Contractile Dysfunction following Acute Alcohol Challenge
Current Pharmaceutical Design Mechanisms of Interferon Mediated Anti-Viral Resistance
Current Drug Targets - Immune, Endocrine & Metabolic Disorders Animal Models for Studying Neointima Formation
Current Vascular Pharmacology Inflammation Markers in Essential Hypertension
Medicinal Chemistry The Innate Immunity in Alzheimer Disease- Relevance to Pathogenesis and Therapy
Current Pharmaceutical Design Apolipoprotein Mimetic Peptides as Modulators of Lipoprotein Function
Protein & Peptide Letters Oxidized Haemoglobin–Driven Endothelial Dysfunction and Immune Cell Activation: Novel Therapeutic Targets for Atherosclerosis
Current Medicinal Chemistry Medicinal Chemistry of Selective Neurokinin-1 Antagonists
Current Topics in Medicinal Chemistry Cord Blood as Diagnostic Window for Preeclampsia
Recent Patents on Biomarkers