Targeting Epithelial to Mesenchymal Transition in Breast Cancer with Bioactive Compounds derived from Solanum surattense: A GC-MS and Molecular Docking approach

Abstract

The epithelial to mesenchymal transition (EMT) has been associated with the invasion and migration of tumor cells, thus playing a fundamental role in cancer progression and metastasis. Breast cancer is a heterogeneous disease, which has been regarded as one of the leading causes of death amongst women globally. The initiation of EMT in breast cancer embraces the involvement of multiple signaling pathways. The involvement of a few factors present in EMT has left a prominent impact on shaping breast cancer development. Solanum surattense, belonging to the family Solanaceae, possesses numerous therapeutic properties due to the presence of several substances. In this study, we focused on major key players genes in promoting EMT, which increases the severity of cancer. Using GC/MS analysis, the active compounds from Solanum surattense were predicted. Molecular docking studies for this extracted active compounds were performed against the genes responsible for EMT using the PatchDock server. The docked complexes were then visualized using PyMOL. Results obtained from the molecular docking showed the inhibitory effect against the EMT pathway, thus inhibiting breast cancer progression.