Abstract
Human immunodeficiency virus (HIV) is the responsible causal agent of acquired immunodeficiency syndrome (AIDS), a condition in humans in which the immune system begins to fail, allowing the entry of opportunistic infections. HIV infection in humans is considered pandemic by the World Health Organization (WHO). HIV needs to use a protein as a co-receptor to enter its target cells. Several chemokine receptors can in principle act as viral co-receptors, but the chemokine (C-C motif) receptor 5 (CCR5) is likely the most physiologically important co-receptor during natural infection. For this reason the development of new CCR5 inhibitors like anti-HIV agents, constitutes a challenge for the scientific community. The present review will focus on the current state of the design of novel anti-HIV drugs, and how the existing computer aided-drug design methodologies, have been effective in the search of new anti-HIV agents. In addition, a QSAR model based on substructural descirptors is presented as a rapid, rational and promising alternative for the discovery of anti-HIV agents through the inhibition of the CCR5.
Keywords: CCR5 inhibitors, QSAR, 3D-QSAR, anti-HIV, linear discriminant analysis, fragments, X-ray crystallography, NMR spectroscopy, molecular descriptors, drug design
Current Computer-Aided Drug Design
Title: Current Drug Design of Anti-HIV Agents Through the Inhibition of C-C Chemokine Receptor Type 5
Volume: 7 Issue: 4
Author(s): Alejandro Speck-Planche and Maria Natalia Dias Soeiro Cordeiro
Affiliation:
Keywords: CCR5 inhibitors, QSAR, 3D-QSAR, anti-HIV, linear discriminant analysis, fragments, X-ray crystallography, NMR spectroscopy, molecular descriptors, drug design
Abstract: Human immunodeficiency virus (HIV) is the responsible causal agent of acquired immunodeficiency syndrome (AIDS), a condition in humans in which the immune system begins to fail, allowing the entry of opportunistic infections. HIV infection in humans is considered pandemic by the World Health Organization (WHO). HIV needs to use a protein as a co-receptor to enter its target cells. Several chemokine receptors can in principle act as viral co-receptors, but the chemokine (C-C motif) receptor 5 (CCR5) is likely the most physiologically important co-receptor during natural infection. For this reason the development of new CCR5 inhibitors like anti-HIV agents, constitutes a challenge for the scientific community. The present review will focus on the current state of the design of novel anti-HIV drugs, and how the existing computer aided-drug design methodologies, have been effective in the search of new anti-HIV agents. In addition, a QSAR model based on substructural descirptors is presented as a rapid, rational and promising alternative for the discovery of anti-HIV agents through the inhibition of the CCR5.
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Cite this article as:
Speck-Planche Alejandro and Natalia Dias Soeiro Cordeiro Maria, Current Drug Design of Anti-HIV Agents Through the Inhibition of C-C Chemokine Receptor Type 5, Current Computer-Aided Drug Design 2011; 7 (4) . https://dx.doi.org/10.2174/157340911798260287
DOI https://dx.doi.org/10.2174/157340911798260287 |
Print ISSN 1573-4099 |
Publisher Name Bentham Science Publisher |
Online ISSN 1875-6697 |
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