Molecular modeling and molecular dynamics simulations of GPI 14 in Leishmania major: insight into the catalytic site for active site directed drug design.

Leishmania major causes cutaneous form of Leishmaniasis affecting 21 million people in developing countries. Overuse of the chemotherapeutics against leishmaniasis has resulted in the development of drug resistance in the parasite. To surmount this emerging threat we have attempted to target the surface molecules.