The computational modeling reveals that the docking binding energy values of DCA are PDK2 > PDK1 > PDK4 > PDK3 (37), suggesting that DCA has greatest binding affinity for PDK2, for which we showed no significant difference in PDK2 gene expression between GBM tumors and normal brain tissue in the TCGA dataset. The gene discussed is PDK1; the disease is glioblastoma.