Abstract

COMPUTATIONAL STUDIES ON C FLIP INHIBITORS AS A NOVEL TARGET ON BREAST CANCER.

Wagh Jyoti Gorakh*, Banerjee Angshu and Abhilasha Mithal

ABSTRACT

Breast cancer being one of the most common type of cancer effecting large number of population in the present day life, various drug molecules were developed against breast cancer where the cancer cells are being resistant to the drug molecules. Inhibition of apoptosis pathway is one of the leading causes of cancer, where there is uncontrolled growth of cells leading to the formation of tumors. C-FLIP is one of such protein which inhibits the apoptosis process, which can be considered as drug target by inhibiting the c-FLIP activity there will be increase in the apoptosis process which would be of potential use. In our present study we modeled c-FLIP protein containg death effector Domains (DED’s) and have taken some of natural and synthetic inhibitors that inhibit c-FLIP protein and studied the interaction studies of these ligand molecules with the protein. Among the taken 37 ligands 12 ligands were interacting with the c-FLIP protein. Among the synthetic compounds Droxinostat and in natural compounds Chyrasin are showing highest dock scores of 44.169 and 19.758. These studies could of potential use in generating new drug molecules by creating analogues with the highest interacting molecules.

Keywords: c-FLIP, Modleing, Natural compounds, synthetic compounds, Death Effector Domains (DED).