Shabnam Shamaei - Islamic Azad University, Khorramabad branch, Khorramabad, Iran
Zahra Akbari - slamic Azad University, Khorramabad branch, Khorramabad, Iran

The design of new drug combinations based on molecular docking on Xanthone derivatives as potential anti-cancer agents. In this study interaction of compounds with ۱ZXM, ۱BNA and ۱LU۵۱ structures was investigated by molecular docking. In Docking, thesecompounds with a ۱ZXM receptor have a Docking connection energy in the range of -۶.۸۷ to -۸.۶۹ which is the best binding energy. In Docking, these compounds with the ۱BNA receptor, the docking connection energy are in the range of -۶.۷۴ to -۹.۳۴, which is the best binding energy associated with the ۱ ligand, and in docking with ۱LU۵۱ receptor, docking connection energy It is in the range of -۴.۸۵ to -۶.۹۹, which is the best energy for the ۱composition. In the binding of these compounds to the ۱ZXM protein receptor, they carry key amino acids in the active site of the hydrogen bonded receptor, and are found in binding to ۱BNA and ۱LU۵۱ receptors, which are mainly bound via the key bands of adenine, thymine, cytosine, and guanine.

Molecular Docking, Anticancer, Xanthone derivatives