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dc.contributor.authorM. El-Deeb, Ibrahimen_US
dc.contributor.authorPark, Byung Sunen_US
dc.contributor.authorJung, Su Jinen_US
dc.contributor.authorYoo, Kyungen_US
dc.contributor.authorOh, Chang-Hyunen_US
dc.contributor.authorCho, Seung Jooen_US
dc.contributor.authorHan, Dong Keunen_US
dc.contributor.authorLee, Jae Yeolen_US
dc.contributor.authorLee, Soen_US
dc.date.accessioned2017-05-03T15:59:06Z
dc.date.available2017-05-03T15:59:06Z
dc.date.issued2009en_US
dc.date.modified2011-10-21T07:24:53Z
dc.identifier.issn0960894Xen_US
dc.identifier.doi10.1016/j.bmcl.2009.08.029en_AU
dc.identifier.urihttp://hdl.handle.net/10072/37924
dc.description.abstractA series of rationally designed ROS1 tyrosine kinase inhibitors was synthesized and screened. Compound 12b has showed good potency with IC50 value of 209 nM, which is comparable with that of the reference lead compound 1. Molecular modeling studies have been performed, that is, a homology model for ROS1 was built, and the screened inhibitors were docked into its major identified binding site. The docked poses along with the activity data have revealed a group of the essential features for activity. Overall, simplification of the lead compound 1 into compound 12b has maintained the activity, while facilitated the synthetic advantages. A molecular interaction model for ROS1 kinase and inhibitors has been proposed.en_US
dc.description.peerreviewedYesen_US
dc.description.publicationstatusYesen_AU
dc.format.extent301294 bytes
dc.format.mimetypeapplication/pdf
dc.languageEnglishen_US
dc.language.isoen_AU
dc.publisherElsevieren_US
dc.publisher.placeUnited Kingdomen_US
dc.relation.ispartofstudentpublicationNen_AU
dc.relation.ispartofpagefrom5622en_US
dc.relation.ispartofpageto5626en_US
dc.relation.ispartofissue19en_US
dc.relation.ispartofjournalBioorganic & Medicinal Chemistry Lettersen_US
dc.relation.ispartofvolume19en_US
dc.rights.retentionYen_AU
dc.subject.fieldofresearchBiologically Active Moleculesen_US
dc.subject.fieldofresearchcode030401en_US
dc.titleDesign, Synthesis, Screening and Molecular Modeling Study of a New Series of Ros1 Receptor Tyrosine Kinase Inhibitorsen_US
dc.typeJournal articleen_US
dc.type.descriptionC1 - Peer Reviewed (HERDC)en_US
dc.type.codeC - Journal Articlesen_US
gro.rights.copyrightCopyright 2009 Elsevier. This is the author-manuscript version of this paper. Reproduced in accordance with the copyright policy of the publisher. Please refer to the journal's website for access to the definitive, published version.en_AU
gro.date.issued2009
gro.hasfulltextFull Text


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