Kinase-Targeted Library Design through the Application of the PharmPrint Methodology

@article{Deanda2008KinaseTargetedLD,
  title={Kinase-Targeted Library Design through the Application of the PharmPrint Methodology},
  author={Felix Deanda and Eugene L. Stewart and Michael J. Reno and David H. Drewry},
  journal={Journal of chemical information and modeling},
  year={2008},
  volume={48 12},
  pages={2395-403}
}
The PharmPrint methodology, as modified and implemented by Deanda and Stewart, was prospectively evaluated for use as a virtual high-throughput screening tool by applying it to the design of target-focused arrays. To this end, PharmPrint quantitative structure-activity relationship (QSAR) models for the prediction of AKT1, Aurora-A, and ROCK1 inhibition were constructed and used to virtually screen two large combinatorial libraries. Based on predicted activities, an Aurora-A targeted array and… CONTINUE READING

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