To support and further rationalize the observed antiproliferative effects of the PQ derivatives, an in silico study was conducted by performing Induced Fit Docking (IFD) on a selected panel of six molecular targets (HSP90, IGF1R, PIK3CA, CDK6, HDAC2, and HDAC8, which PDB codes are: 2FWY [22], 2OJ9 [23], 8EXL [24], 5L27 [25], 4LXZ [26], and 3SFF [27], respectively) known to be commonly expressed in both MCF-7 and HeLa cancer cell lines [46,47,48,49,50]. Here, CDK6 is linked to cancer.