
Computational Chemistry plays an important role in the research of new possible medicines. In this work, anti cancer activity and molecular docking analysis was carried out to study the effects of anthracene derivatives namely 9-Chloroanthracene and 2,6-Dimethoxyanthracene on effect of anticancer. The binding interactions in the targets active sites were reported. Results show that 9-Chloroanthracene and 2,6-Dimethoxyanthracene are promising leads, so the study of these compounds is recommended.