ligand binding energy

1,3,4 – thiadiazole derivatives derived from various reaction sequences with slight modifications in the side chain with primary amine group at 5th position in the thiadiazole ring. The docking studies were done by using scroodinger software version against the enzyme protein kinase. The structures of all the compounds were drawn using chemdraw software version 8.0. All the thiadiazole derivatives showed satisfactory ligand binding energy between -2.70 to -5.60 k.cal /mole. Compounds A3, A21,M34&M36 showed better glide score with -5.4, -4.9, -4.7 and-4.00 respectively.