Research Paper Volume 13, Issue 2 pp 1898—1912

Effective natural inhibitors targeting poly ADP-ribose polymerase by computational study

Molecular structure of 2RCW (PARP complexed with A620223). (A) Initial molecular structure. (B) Surface of binding area were added. Blue represents positive charge and red represents negative charge. (C) Molecular structure of Olaparib combined in binding area.

Figure 5. Molecular structure of 2RCW (PARP complexed with A620223). (A) Initial molecular structure. (B) Surface of binding area were added. Blue represents positive charge and red represents negative charge. (C) Molecular structure of Olaparib combined in binding area.