Homology Modeling, Molecular Dynamics and Docking of a Novel Anti-cancer Protein Obtained from Earthworm Coelomic Fluid

The specific problem encountered in combating cancer is the uncontrolled proliferation of cancer cells. Recently, concepts of using naturally available extracts to inhibit division of cancer cells have emerged, naturally occurring substances such as extracts from helminths have assumed importance in preventing the replication and division of cancer cells in vitro and in vivo. This research work is designed to identify biomolecules from Earthworm Coelomic Fluid (ECF) of Eudrilus eugeniae that can inhibit cancer cells from proliferating. This would be highly relevant in the current scenario since cancer cell division is one of the prime reasons for failure of anticancer therapy. Homology modeling refers to constructing an atomic-resolution model of the “target” protein from its amino acid sequence. Using simulation tools, the constructed model can be docked with known receptors to analyze their interactions. Identification of the 3D structure of these biomolecules and information about interaction with receptors could be an initial step towards drug discovery and development.