SCREENING THROUGH COMPUTER AIDED APPROACH OF PHYTOCHEMICALS FROM CINNAMOMUM CASSIA TARGETING LUNG CANCER

Abstract

Phytochemicals are plant based chemical constituents, that are found in grains, beans, fruits, vegetables, etc.
These chemicals have gained interest as majority of them have potentials to protect the cells from damage that
could lead to life threatening diseases like cancer. There are reports supporting the use of phytochemicals
isolated from Cinnamomum cassia in the treatment of lung disorders. The phytochemicals present in it have the
aptness to suppress the receptor such as, Tumor necrosis factor receptor (TNFR) that is associated with the
enzyme Tumor necrosis factor alpha converting enzyme (TACE). In the present study, molecular docking of the
phytochemicals screened from Cinnamomum cassia were measured against the enzyme by using BIOVIA
Discovery Studio. The stability of the interaction was evaluated based on the scores of -CDocker energy and -
CDocker interaction energy. High positive scores for both the variables indicated that out of the various
phytochemicals present in Cinnamomum cassia, Proanthocya and Curcumin can effectively deactivate TACE.