In Silico Exploration for Identifying StructureActivity Relationship of MEK Inhibition and Oral Bioavailability for Isothiazole Derivatives

Melagraki, G; Afantitis, A; Sarimveis, H; Igglessi-Markopoulou, O; Koutentis, P; Kollias, G; Fleming, A

dc.contributor.author	Melagraki, G	en
dc.contributor.author	Afantitis, A	en
dc.contributor.author	Sarimveis, H	en
dc.contributor.author	Igglessi-Markopoulou, O	en
dc.contributor.author	Koutentis, P	en
dc.contributor.author	Kollias, G	en
dc.contributor.author	Fleming, A	en
dc.date.accessioned	2014-03-01T01:59:19Z
dc.date.available	2014-03-01T01:59:19Z
dc.date.issued	2010	en
dc.identifier.uri	https://dspace.lib.ntua.gr/xmlui/handle/123456789/28911
dc.relation.uri	http://www.afantitis.com/ChemBiolDrugDes2010MEK.pdf	en
dc.subject	in silico	en
dc.subject	Model Development	en
dc.title	In Silico Exploration for Identifying StructureActivity Relationship of MEK Inhibition and Oral Bioavailability for Isothiazole Derivatives	en
heal.type	journalArticle	en
heal.publicationDate	2010	en
heal.abstract	In this study, quantitative structure-activity ⁄ prop- erty models are developed for modeling and pre- dicting both MEK inhibitory activity and oral bioavailability of novel isothiazole-4-carboxami- dines. The models developed are thoroughly dis- cussed to identify the key components that influence the inhibitory activity and oral bioavail- ability of the selected compounds. These selected descriptors serve as a first guideline	en
heal.journalName	Chemical Biology & Drug Design	en