Habbatus Sauda (Nigella Sativa) as Anti-Breast Cancer: Not Only Thymoquinone

Abstract

Habbatus sauda (Nigella sativa) had varieties of secondary metabolites with various activities, including as anticancer. Thymoquinone, one of them was known for its anticancer activity such as ER-positive and HER2-positive breast cancer. Besides, there were many other secondary metabolites which also had activity as anticancer compounds. This study aims to determine the most potent secondary metabolites of habbatus sauda as ER and HER2 inhibitor. The method used was molecular docking variety of habbatus sauda secondary metabolites against ER and HER2 receptors. The results obtained showed stigmasterol, a phytosterol provided most negative free energy of binding and lowest inhibition constants against both ER and HER2 receptors, with -10.85 kcal/mol and 11,12 nM for ER, also -12.64 and 0.54 nM for HER2, respectively. Stigmasterol showed higher affinity than thymoquinone towards ER and HER2 receptors. This results predicted that stigmasterol has activity as ER and HER2 inhibitor and should be potential to be developed as breast cancer therapy.

Note: Downloadable document is in Indonesian.

Keywords: Docking, Habbatus sauda, Breast cancer, Stigmasterol, Thymoquinone