Predicting protein targets for drug-like compounds using transcriptomics
Fig 4
HRAS/KRAS inhibitors predicted based on direct correlations and docked poses show direct binding in SPR assays.
Differential gene expression profiles of (a) Phloretin and (b) RS-39604 cell treatments and KRAS and HRAS KD experiments, respectively. Several functionally related genes listed in BioGrid [32] are indicated to demonstrate the relevance of these profiles as suggestive of direct drug-target interactions. Models of (c) phloretin and (d) RS-39604 bound to an allosteric site on the KRAS and HRAS catalytic domains, respectively. (e) SPR titration response curves for (e) phloretin and (f) RS-39604 binding to KRAS and HRAS, respectively, compared to DCAI positive control.