In-Silico Study of 1,3-Dibenzoyl Thiourea Compounds Against Several Anticancer Receptors

Abstract

Cancer is a disease characterized by uncontrolled cell growth. WHO says cancer is one of the leading causes of death worldwide. Cancer drugs are known to have many side effects, so there is a need for the discovery and development of new drugs that are more effective with low side effects. This study aims to determine the potential interaction of thiourea-derived compounds, namely 1,3-dibenzoyl thiourea, against several cancer receptors. The interaction study was carried out in silico with AutoDock Vina software and visualized with Discovery Studio. The results showed that 1,3-Dibenzoyl thiourea compounds had a better interaction with gastric cancer receptors (3CF9) and lung cancer (2ITO) compared to other cancer receptors. The binding affinity value of 1,3-Dibenzoyl thiourea compound with gastric cancer receptors is -7.44 Kcal/mol and with lung cancer receptors is -8.00 Kcal/mol