Genome Medicine · 2014 · 166 citations · 70 references
PharmacyMedicinal ChemistryOncologyDrug DesignDrug DiscoveryMachine LearningComputational Drug DiscoveryComputational OncologyDrug Discovery InformaticsPeptide Drug DiscoveryTargeted Cancer TherapyVirtual ScreeningAnti-proliferative SignalingArtificial Intelligence-based ScreeningInhibitor ClassificationMachine Learning-assisted DesignPrecision Oncology Drug SelectionSynthetic Peptide AnalogsTargeted Inhibitor DesignTherapeutic Peptides
We present an integrated approach that predicts and validates novel anti-cancer drug targets. We first built a classifier that integrates a variety of genomic and systematic datasets to prioritize drug targets specific for breast, pancreatic and ovarian cancer. We then devised strategies to inhibit these anti-cancer drug targets and selected a set of targets that are amenable to inhibition by small molecules, antibodies and synthetic peptides. We validated the predicted drug targets by showing strong anti-proliferative effects of both synthetic peptide and small molecule inhibitors against our predicted targets.
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