Publication Type Journal Article
Title Camphor-based CCR5 blocker lead compounds - computational and experimental approach
Authors Gonçalo C. Justino Pedro F. Pinheiro Alexandra P. S. Roseiro Ana S. O. Knittel Joao Goncalves Marta C. Justino M Fernanda NN Carvalho
Groups BioMol
Journal RSC ADVANCES
Year 2016
Month
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Volume 6
Number 61
Pages 56249-56259
Abstract The C-C chemokine receptor type 5 (CCR5) is a transmembrane receptor that plays a pivotal role as a HIV anchor to human cell membranes, mediating viral entry. CCR5 antagonists, acting by blocking the receptor and preventing its interaction with the HIV proteins, are key agents towards effective anti-viral therapy. This work describes the computational study, synthesis and viral inhibition assay of a number of camphor derivatives as a first step towards new drug leads to block this specific entry pathway. Viral inhibition assays have identified three molecules, camphor carboxylic acid, its tri(hydroxymethyl) aminomethane amide derivative, and an hydroxyl-imide camphor derivative as promising agents to develop new drugs, with IC50 values (0.16, 0.22 and 1.02 mu M, respectively) one order below that of maraviroc (0.02 mu M), a clinically used CCR5 antagonist.
DOI http://dx.doi.org/10.1039/c6ra09627a
ISBN
Publisher ROYAL SOC CHEMISTRY
Book Title
ISSN 2046-2069
EISSN
Conference Name
Bibtex ID ISI:000378275400069
Observations
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