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The ROS1 Project

ROS1 (reactive oxygen species) is a proto-oncogene that is highly expressed in a variety of tumor cell lines and belongs to the sevenless subfamily of tyrosine kinase insulin receptor genes. Aberrant expression and oncogenic fusions resulting from chromosomal rearrangement occur in lung cancer, cholangio- carcinoma, and glioblastoma. Aberrant expression is also detected in a variety of other cancer types. ROS1 inhibition is expected to have anti-tumoral effects in cells where ROS1 is activated (Acquaviva, Wong, and Charest, 2009; Charest et al., 2006).

This project sought to develop compounds that inhibit ROS1. The ROS1 dataset consists of eighty-nine (89) compounds tested for target inhibition. A total of 1289 differentially expressed genes were retained after pre-processing. For this project, a total of 312 unique profiles of fingerprint features was generated from the 89 compounds.

The EGFR Project

The EGFR project focuses on inhibition of the epidermal growth factor receptor (Woodburn, 1999). Thirty-five compounds with a macrocycle structure were profiled in order to identify compounds with biological effects, similar to those of the current EGFR inhibitors, Gefitinib and Erlotinib, serving as the reference compounds. Gene expression profiles are available for 3595 genes after all the filtering steps. Moreover, a total of 138 unique profiles of chemical substructures were identified for this compound set.

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