Synthesis, screening and molecular modeling study of a new series of ROS receptor tyrosine kinase inhibitors

Title
Synthesis, screening and molecular modeling study of a new series of ROS receptor tyrosine kinase inhibitors
Authors
이브라인박병선정수진유영준유경호이소하
Keywords
ROS1; tyrosine kinase; pyrazole; astrocytomas
Issue Date
2010-06
Publisher
Eleventh tetrahedron Symposium
Citation
, PSB18
Abstract
ROS protein is a receptor tyrosine kinase that has been reported mainly in meningiomas and astrocytomas, and until now, there is no selective inhibitor for this kinase. we illustrate for the synthesis of a highly potent and selective inhibitor for ROS1 kinase. The pyrazole compounds showed an IC50 value of 199 and 209 nM for ROS1 kinase, respectively. Molecular modeling studies have been performed, i.e., 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. A molecular interaction model for ROS1 kinase and inhibitors has been proposed.
URI
http://pubs.kist.re.kr/handle/201004/37565
Appears in Collections:
KIST Publication > Conference Paper
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