A prospective modification structure: The effect of lipophilic and electronic properties of n-(phenylcarbamothyoil)benzamide derivatives on cytotoxic activity by in silico and in vitro assay with t47d cells

Topliss aromatic modification structure considers two important properties, lipophilic and electronic. This study is to prove lipophilic and electronic properties effect of an anticancer lead compound N-(phenylcarbamothyoil) benzamide using in silico and in vitro method. We used in silico method that docked two derivatives (4-nitro and 4-methyl moieties) in the sirtuin-1 receptor (PDB ID: 4i5i) using autodock tools. They were screened for cytotoxic activity on T47D cells with MTT Method. The result showed that there were different activities in docking prediction and cytotoxic activity on T47D. 4-Nitro PCTB had more increased activity than 4-methyl.It was implied that electronic activity is more affecting cytotoxic activity than lipophilic properties.