9-aminoacridines play an important role in the field of antitumor DNA-intercalating agents, due to their antiproliferative properties. Series of some phenyl pyrazole substituted 9-aminoacridines1a-x were designed for anti-breast cancer activity. Molecular docking targeted againstHER2by Glide module, insilco ADMET screening by qikprop module and binding free energy by Prime-MMGBSA module of Schrodinger suite-2016. The binding affinity of the designed molecules towards HER2 was selected on the basis of GLIDE score and interaction patterns. Most of the compounds 1a-x have good Glide scores when compared with standard drugsledacrine and tamoxifen. The Phenyl pyrazole substituted 9-aminoacridine derivatives 1a-x have good binding affinity with Glide score in the range of -3.43 to -8.086 compared with the standard ledacrine and tamoxifen. The results reveals that, Phenyl pyrazole substituted 9-amino acridines as HER2 inhibitor and the compounds, 1v,u,w,t,n,k with good Glide score may produce significant anti-breast cancer activity for further refinement
