Synthesis, screening and molecular modeling study of a new series of ROS receptor tyrosine kinase inhibitors
- Synthesis, screening and molecular modeling study of a new series of ROS receptor tyrosine kinase inhibitors
- 이브라인; 박병선; 정수진; 유영준; 유경호; 이소하
- ROS1; tyrosine kinase; pyrazole; astrocytomas
- Issue Date
- Eleventh tetrahedron Symposium
- , PSB18
- 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.
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