In-Silico Qsar Analysis Of Substituted Dipiperidines As Ccr2 Antagonists And Antitumoral Acridones As A Anticancerous Agent Download PDF

Abstract- A series of Tricycle   quinolones  as  antitumor  acridones and  Dipiperidines  as  CCR2  antagonist were selected, having  the  cytotoxic   activity  against  both  HL-60  and  P388  leukemias. A  series 1 dataset was selected for  Quantitative structural activity relationship (QSAR) analysis using combination of various descriptors such as steric, electronic and topological. Stepwise regression method was used to derive the most significant QSAR equation for predicting the anticancerous activity. Thus 3D QSAR analysis clearly  indicated  that  parameters,  MR (Molar  Refractivity), Ovality  (Steric  descriptor),  PMI-X (Principle  moment –X  axis)  and  Log P ( Electronic  descriptor ) play  an  important role  for  biological  activity  of  compounds