Biomolecular motor proteins as targets for cancer treatment- a computational study.

Molecular motors carry out essential functions in the cell and form the basis of many important biological processes. A distinctive property of molecular motors is their ability to convert energy from ATP upon hydrolysis. These motors are able to bind and move along cytoskeletal filaments. The protein analysis performed revealed the conserved regions and the active sites of these proteins which can be used for ligand designing for effectively targeting of the drugs. Stability, aliphatic index, hydropathy index and half life of these proteins were also calculated. From the computational modeling and simulation studies, interaction potential energy of each of the motor proteins has been computed. The interaction potential energy and Vander Waals energy were found to be negative for all the motor proteins. The analysis described in this paper points out several properties of the molecular motors and thus provides information on roles of these chemicals in various body disorders. Molecular motors involved in cell division can be effectively targeted by the drugs against cancer.