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In silico exploration for identifying structure-activity relationship of MEK inhibition and oral bioavailability for isothiazole derivatives

dc.contributor.authorMelagraki, G.en
dc.contributor.authorAfantitis, Antreasen
dc.contributor.authorSarimveis, H.en
dc.contributor.authorIgglessi-Markopoulou, O.en
dc.contributor.authorKoutentis, Panayiotis Andreasen
dc.contributor.authorKollias, G.en
dc.creatorMelagraki, G.en
dc.creatorAfantitis, Antreasen
dc.creatorSarimveis, H.en
dc.creatorIgglessi-Markopoulou, O.en
dc.creatorKoutentis, Panayiotis Andreasen
dc.creatorKollias, G.en
dc.date.accessioned2019-11-21T06:21:25Z
dc.date.available2019-11-21T06:21:25Z
dc.date.issued2010
dc.identifier.issn1747-0277
dc.identifier.urihttp://gnosis.library.ucy.ac.cy/handle/7/55844
dc.description.abstractIn this study, quantitative structure-activity/property models are developed for modeling and predicting both MEK inhibitory activity and oral bioavailability of novel isothiazole-4-carboxamidines. The models developed are thoroughly discussed to identify the key components that influence the inhibitory activity and oral bioavailability of the selected compounds. These selected descriptors serve as a first guideline for the design of novel and potent MEK inhibitors with desired ADME properties. © 2010 John Wiley & Sons A/S.en
dc.sourceChemical Biology and Drug Designen
dc.source.urihttps://www.scopus.com/inward/record.uri?eid=2-s2.0-78651084814&doi=10.1111%2fj.1747-0285.2010.01029.x&partnerID=40&md5=599a110842b8d753c27e1e21f41d8932
dc.subjectarticleen
dc.subjectAlgorithmsen
dc.subjectpriority journalen
dc.subjectmitogen activated protein kinaseen
dc.subjectdrug bioavailabilityen
dc.subjectProtein Kinase Inhibitorsen
dc.subjectcomputer modelen
dc.subjectQSARen
dc.subjectQuantitative Structure-Activity Relationshipen
dc.subjectdrug structureen
dc.subjectdrug identificationen
dc.subjectThiazolesen
dc.subjectIsothiazoleen
dc.subjectisothiazole derivativeen
dc.subjectADMEen
dc.subjectAdministration, Oralen
dc.subjectBiological Availabilityen
dc.subjectIn silico screeningen
dc.subjectMEK inhibitoren
dc.subjectMitogen-Activated Protein Kinase Kinasesen
dc.subjectOral bioavailabilityen
dc.titleIn silico exploration for identifying structure-activity relationship of MEK inhibition and oral bioavailability for isothiazole derivativesen
dc.typeinfo:eu-repo/semantics/article
dc.identifier.doi10.1111/j.1747-0285.2010.01029.x
dc.description.volume76
dc.description.issue5
dc.description.startingpage397
dc.description.endingpage406
dc.author.faculty002 Σχολή Θετικών και Εφαρμοσμένων Επιστημών / Faculty of Pure and Applied Sciences
dc.author.departmentΤμήμα Χημείας / Department of Chemistry
dc.type.uhtypeArticleen
dc.description.notes<p>Cited By :30</p>en
dc.source.abbreviationChem.Biol.Drug Des.en
dc.contributor.orcidKoutentis, Panayiotis Andreas [0000-0002-4652-7567]
dc.contributor.orcidAfantitis, Antreas [0000-0002-0977-8180]
dc.contributor.orcidIgglessi-Markopoulou, O. [0000-0002-7683-8526]
dc.gnosis.orcid0000-0002-4652-7567
dc.gnosis.orcid0000-0002-0977-8180|0000-0002-7683-8526


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