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dc.contributor.authorLoizidou, Eriketi Z.en
dc.contributor.authorZeinalipour-Yazdi, Constantinos D.en
dc.contributor.authorChristofides, Tasos C.en
dc.contributor.authorKostrikis, Leontios G.en
dc.date.accessioned2019-11-04T12:52:18Z
dc.date.available2019-11-04T12:52:18Z
dc.date.issued2009
dc.identifier.urihttp://gnosis.library.ucy.ac.cy/handle/7/53233
dc.description.abstractThis 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. © 2009 Elsevier Ltd. All rights reserved.en
dc.sourceBioorganic and Medicinal Chemistryen
dc.source.urihttps://www.scopus.com/inward/record.uri?eid=2-s2.0-66449105516&doi=10.1016%2fj.bmc.2009.04.058&partnerID=40&md5=49b84839fa3dae4e5ab8cc8c07712dc4
dc.subjectarticleen
dc.subjectnonhumanen
dc.subjectdrug activityen
dc.subjectHuman immunodeficiency virus 1en
dc.subjectHIV-1en
dc.subjectResistanceen
dc.subjectenzyme inhibitionen
dc.subjectThermodynamicsen
dc.subjectenergy transferen
dc.subjectwateren
dc.subjectMolecular Structureen
dc.subjectProtein Bindingen
dc.subjectDrug Resistance, Viralen
dc.subjectProtein Conformationen
dc.subjectHIV Integraseen
dc.subjectHIV Integrase Inhibitorsen
dc.subjectintegrase inhibitoren
dc.subjectquinoline derivativeen
dc.subjectQuantitative Structure-Activity Relationshipen
dc.subjectdrug protein bindingen
dc.subjectModels, Molecularen
dc.subjectAutodocken
dc.subjectElvitegraviren
dc.subjectHIV-1 integraseen
dc.subjectInhibitorsen
dc.subjectnaphthyridine derivativeen
dc.subjectoctanolen
dc.subjectpartition coefficienten
dc.subjectRaltegraviren
dc.titleAnalysis of binding parameters of HIV-1 integrase inhibitors: Correlates of drug inhibition and resistanceen
dc.typeinfo:eu-repo/semantics/article
dc.identifier.doi10.1016/j.bmc.2009.04.058
dc.description.volume17
dc.description.startingpage4806
dc.description.endingpage4818
dc.type.uhtypeArticleen
dc.description.notes<p>Cited By :9</p>en
dc.source.abbreviationBioorg.Med.Chem.en
dc.contributor.orcidChristofides, Tasos C. [0000-0001-6121-0683]
dc.contributor.orcidKostrikis, Leontios G. [0000-0002-5340-7109]


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