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Issue 61, 2016, Issue in Progress
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Camphor-based CCR5 blocker lead compounds – a computational and experimental approach

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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 μM, respectively) one order below that of maraviroc (0.02 μM), a clinically used CCR5 antagonist.

Graphical abstract: Camphor-based CCR5 blocker lead compounds – a computational and experimental approach

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Publication details

The article was received on 13 Apr 2016, accepted on 03 Jun 2016 and first published on 06 Jun 2016


Article type: Paper
DOI: 10.1039/C6RA09627A
Citation: RSC Adv., 2016,6, 56249-56259
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    Camphor-based CCR5 blocker lead compounds – a computational and experimental approach

    G. C. Justino, P. F. Pinheiro, A. P. S. Roseiro, A. S. O. Knittel, J. Gonçalves, M. C. Justino and M. F. N. N. Carvalho, RSC Adv., 2016, 6, 56249
    DOI: 10.1039/C6RA09627A

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