In Silico Analysis of Isoflavone Compounds in Soybean (Glycine max L) as Anti-Breast Cancer Agents Targeting Estrogen Receptor Alpha

Breast cancer is a main health concern globally and the second leading cause of cancer death in many countries, including developed and developing. Meanwhile, soybean is reported to contain isoflavones, which have properties similar to certain hormonal anti-cancer drugs. This study aimed to investigate the anti-breast cancer activity of isoflavone compounds in soybean (Glycine max L) against estrogen receptor alpha. In Silico test was conducted on isoflavone compounds in soybean, which consisted of 12 isoforms including Daidzein, Daidzin, Genistein, Glycitein, Genistin, Glycitin, Acetyl Daidzin, Acetyl Genistin, Acetyl glycitin, Malonyl Daidzin, Malonyl Genistin, and Malonyl Glycitin. The results showed that four compounds passed the Lipinski's rule test and achieved strong binding affinity namely Daidzein, Genistein, Glycitein, and Acetyl Daidzin with values of -8.47, -8.5, -8.6, and -7.09 respectively. These compounds also formed hydrogen bonds in the interactions with macromolecules. Specifically, Daidzein, Glycitein, and Acetyl Daidzin formed three hydrogen bonds each, while Genistein formed five hydrogen bonds. Based on the results, soybean has anti-breast cancer activity as shown by In Silico test on the estrogen receptor alpha.