Thiazolidinedione-based PI3Kα inhibitors: an analysis of biochemical and virtual screening methods.

"experimental data on synthesized compounds is provided in the supporting information pi3k x-ray structures (2rd0 2a5u 2wxl) were obtained from the pdb ( http://www rcsb org )."

"We would like to thank Dr. David Manallack for his assistance in calculating pKa values. We would also like to thank the Victorian Partnership for Advanced Computing (VPAC) and the Victorian Life Sciences Computation Initiative (VLSCI), which are supported by the Australian Commonwealth and Victorian Governments. This work was funded through National Institutes of Health grants CA43460 and CA62924, the Virginia and D.K. Ludwig Fund for Cancer Research (USA), the Cancer Council Victoria no. 436708 and a National Health and Medical Research Council grant no. 545943 (Australia)."