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 |
- 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
-
A Pharmacophore Model Specific to Active Site of CYP1A2 with a Novel Molecular Modeling Explorer and CoMFA
Medicinal Chemistry Toll-Like Receptors and Human Disease: Lessons from Single Nucleotide Polymorphisms
Current Genomics Investigation of Structural, Treatment, and Clinical Characteristics of COVID-19 Along with the Challenges Caused by its Prevalence
Infectious Disorders - Drug Targets Central Nervous System Abnormalities in Fibromyalgia and Chronic Fatigue Syndrome: New Concepts in Treatment
Current Pharmaceutical Design Impact of Immunosuppressive Drugs on the Development of Cardiac Allograft Vasculopathy
Current Vascular Pharmacology ABC Multidrug Transporters: Target for Modulation of Drug Pharmacokinetics and Drug-Drug Interactions
Current Drug Targets Noninvasive Diagnosis of Chemotherapy Related Cardiotoxicity
Current Cardiology Reviews Cell Immunity in Coronary Artery Disease (CAD)
Current Immunology Reviews (Discontinued) Aromatase Inhibitors: A New Reality for the Adjuvant Endocrine Treatment of Early-Stage Breast Cancer in Postmenopausal Women
Mini-Reviews in Medicinal Chemistry Impaired Expression and Function of Cancer-Related Enzymes by Anthocyans: An Update
Current Enzyme Inhibition <i>Ralstonia Mannitolilytica</i>, an Unusual Pathogen in the Neonatal Intensive Care Unit: A Case of Neonatal Sepsis and Literature Review
Infectious Disorders - Drug Targets Purinergic Signaling and Energy Homeostasis in Psychiatric Disorders
Current Molecular Medicine NADPH Oxidases NOXs and DUOXs as Putative Targets for Cancer Therapy
Anti-Cancer Agents in Medicinal Chemistry Gene Therapy in Disorders of Lipoprotein Metabolism
Current Gene Therapy Current and Potential Future Pharmacological Approaches for Non- Alcoholic Fatty Liver Disease
Current Vascular Pharmacology Identification of Bioactive Natural Products by Pharmacophore-Based Virtual Screening
Current Pharmaceutical Design Vitamins and Type 2 Diabetes Mellitus
Endocrine, Metabolic & Immune Disorders - Drug Targets Pharmaceutical Interventions for Frailty and Sarcopenia
Current Pharmaceutical Design New Patents on Topical Anesthetics
Recent Patents on Inflammation & Allergy Drug Discovery Therapeutic Medical Hypothermia-A Multispecialty Approach
Recent Patents on Cardiovascular Drug Discovery