Screening of Novel Lead Compound from Carissa Carandas against Breast Cancer using In-Vitro and In-Silico Methods

Author(s): S. Kiruthika, P. Sangeetha Lakshmi and A. Praveena*

Abstract: Breast cancer is one of the perilous cancers and it is the second death causing cancer that occurs mostly in women. This work aimed at determining the active compound from Carissa carandas fruit, which proved to control the growth of cancer cells and this fruit is abundantly found in Tamilnadu, India. The ethanolic fruit extract was subjected to phytochemical and GC - MS analysis. Free radical scavenging and anticancer activity of fruit was analysed by DPPH (1, 1-Diphenyl-2- picrylhydrazyl) and MTT (3- [4, 5-dimethylthiazol-2-yl]-2,5-diphenyl tetrazolium bromide) assays respectively. The IC50 concentration of the ethanolic extract was 86.7308 (μg/ml) against MCF-7 cell lines. Drug likeliness was analysed based on Lipinski’s rule of five, where 11 out of 24 compounds were selected as ligands. IDC (Invasive Ductal carcinoma) breast cancer protein- Aromatase was selected as target which is an estrogen synthesizing enzyme. It was docked with ligands and the efficient lead molecule against this target was selected based on lowest binding energy value which was found to be 2- Furancarboxaldehyde (-114.56 Kcal/mol). This showed that unripe fruits of Carissa carandas could be exploited to get promising lead molecules against IDC breast cancer.

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