Interaction of Thiophene and Their Derivatives with BRCA-1 Using a Theoretical Model

Several studies indicate that breast cancer has been associated with increases in mortality rates worldwide. There are several risk factors to developed breast cancer such as obesity, high fat diet, Lack of physical activity, alcohol, use of oral contraceptives, genetic mutations, and others. In addition, some reports suggesting that breast cancer gene 1 (BRCA1) has been related to breast cancer development. This research aimed to determine the possible interaction of thiophene (1) and their analogs (2 to 25) with BRCA-1 using the 3pxb protein and niraparib drug as controls in a docking model The results showed differences in the interaction of thiophene and its analogs with the surface of the 3pxb protein compared to niraparib drug. Besides, other data indicate that the inhibition constant (Ki) associated with thiophene-derivatives-protein complex formation for 11, 13, 16, 18, and 20 was similar manner to Ki for niraparib. These data suggest that compounds 11, 13, 16, 18, and 20 could inhibit the biological activity of BRCA-1; this phenomenon can be translated as a decrease in breast cancer cell growth.