Synthesis, SAR, and in Silico ADME Screening Studies of Some 9-Amino-3-Phenylacridone Derivatives as Topoisomerase II Inhibitors

Cancer is a leading cause of death globally, claiming about 9.6 million lives and approximately 420 new cases cancer will be diagnosed in the world by year 2025. The aim this study was to synthesize computationally evaluate pharmacological potential some derivatives 9-amino-3-phenylacridone, as topoisomerase II (Topo II) inhibitors. In study, 10 3-phenyl-9-aminoacridone were chemically synthesized characterized, indications these compounds predicted methods such ADMET prediction, molecular target prediction docking. results showed that two (58e 58j) non-permeant blood-brain barrier, property found similar amsacrine etoposide. docking ten work synthetic (58a-j) standard drugs have overall best binding affinities for human acetylcholine esterase than butyrylcholinesterase, topo IIα IIβ. Overall, suggest 58a, 58c, 58f, 58g, 58i could probably inhibit catalytic inhibition seen with amsacrine, but only 58b 58e possessed DNA non-intercalation properties etoposide, serving poison. conclusion, are inhibitor IIα/β both poison non-intercalator DNA.