drug discovery against sleeping sickness disease via computational virtual screening approach
  Trypanosoma brucei   is a rational target for anti-trypanosomatid drug design because glycolysis provides virtually all the energy for the bloodstream form of this parasite. Its GAPDH enzyme and of human has established profound differences between them around the Adenosyl pocket of GAPDH. A cleft is present near the ribosyl ring of NAD + in case of T.brucei, but it is filled by the ILE in human GAPDH. During the project, the NCI-DATABASE was screened in search for a ligand, which has greater affinity towards GAPDH enzyme of T.brucei than NAD + by AutoDock (version 4). Finally, two ligands were found, which have substantially very high affinity towards the T.brucei GAPDH and comparatively low affinity towards human GAPDH. Therefore, these ligands can be proposed to act as the tight binding competitive inhibitor of GAPDH enzyme of T.brucei.
gapdh nad nci-database autodock nci-diversity vmd