Probing PARP1-inhibitor complexes for the development of novel inhibitors.

Poly (ADP-ribose) polymerase 1 (PARP1) is the most important member of the PARP family which has been shown to have a direct involvement in the development of cancer. A strategy to rationalize the structure based drug discovery of PARP1 inhibitors has been discussed. So far studies regarding varied scaffold PARP1 inhibitors have been done, however the current study focus on how the available data from potent PARP1 inhibitors could be combined and utilized for developing a robust model for the development of novel inhibitors.