Abstract

IN SILICO DOCKING STUDIES ON CYCLOOXYGENASE 2 INHIBITORS IN THE TREATMENT OF COLORECTAL CANCER

P. R. Kiresee Saghana* and S. Hemalatha.

ABSTRACT

Colorectal cancer is a malignant tumor arising from the inner wall of the large intestine. Deaths from cancer worldwide are projected to continue rising, with an estimated 12 million deaths in 2030. Colorectal cancer is one of the main types of cancer causing overall cancer mortality each year. COX-2 is not detectible in most normal tissues, but is induced by proinflammatory cytokines, growth factors and carcinogens, implying a role for COX-2 in both inflammation and control of cell growth. COX-2 plays a very imperative role in colorectal cancer. Considering the side effects of the anticancer drugs, the present study was undertaken to substantiate the inhibition potential of the receptor protein COX-2. 4-hydroxypropiophenone(4-HPPP) are analysed and optimized to investigate the interactions between the target compound and the amino acid residues of the COX- 2 protein. Docking studies have been carried out in the active site of COX-2 by using Discover Studio Version 4.5 (Biovia Dassault System, USA). Ligand was docked with target receptor.The energy values were denotes in Lib Dock score 69.8557KDa.

Keywords: Colorectal cancer, cyclooxygenase-2, 4-hydroxypropiophenone, Docking and Discovery Studio.