Single Portfolio

20 analogues were designed and docking was used for testing their activity with the target protein. Docking result shows that all that all the analogues are having stable interaction with the protein. For a good interaction binding energy should be lower.Out of 20 analogues 5 were selected for synthesis showing less than -8 kcal/mol binding energy.

Analogue 10 exhibited very strong interaction showing binding energy of -10.1 kcal/mol. For a good interaction binding energy should be lower.

FIG 1, FIG 2, FIG 3, FIG 4 & FIG 5 representing interacting amino acids with Analogue 10, Analogue 11, Analogue 9, Analogue 2 & Analogue 18 respectively; along with their respective binding energy.