Analysis of binding parameters of HIV-1 integrase inhibitors: correlates of drug inhibition and resistance

Loizidou, Erika, Zeinalipour-Yazdi, Constantinos, Christofides, Tasos and Kostrikis, Leondios G. (2009) Analysis of binding parameters of HIV-1 integrase inhibitors: correlates of drug inhibition and resistance. Bioorganic & Medicinal Chemistry, 17 (13) . pp. 4806-4818. ISSN 0968-0896 (doi:10.1016/j.bmc.2009.04.058)

Abstract

This study undertook an exploratory data analysis of the binding parameters of HIV-1 integrase inhibitors. The study group involved inhibitors in preclinical development from the diketo acid, pyrroloquinoline and naphthyridine carboxamide families and the most advanced inhibitors Raltegravir and Elvitegravir. Distinct differences were observed in the energetics of binding between the studied classes of inhibitors that also correlated with drug resistant patterns. Quantitative-property–activity-relationships correlated experimental IC50 values to the binding energy and the logarithm of the partition coefficient between n-octanol and water (clog P). The approach followed here serves as an improved basis for the development of ‘second generation’ integrase inhibitors.

Item Type: Article
Research Areas: A. > School of Science and Technology > Natural Sciences
Item ID: 14370
Depositing User: Erika Loizidou
Date Deposited: 06 Mar 2015 12:31
Last Modified: 13 Oct 2016 14:32
URI: https://eprints.mdx.ac.uk/id/eprint/14370

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