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In this research, the pyridoacridines alkaloids have been docked computationally to the active site of Topoisomerase II using four PDB structures (1PVG, 1QZR, 1AJ6 and 1ZXM). iGEMDOCK 2.1, AutoDock Vina 1.1.2 and AutoDock 4.2.1 were employed to perform the automated molecular docking. The results of docking studies generated docking scores and IC values. Moreover, 3D pictures of ligand enzyme complexes afforded valuable data regarding the binding orientation of each inhibitor in the active site of Topoisomerase II. [ABSTRACT FROM AUTHOR]