Figure 2.
(a) Pharmacophore modeling of the reported 3CLp inhibitors from their bio-active conformation (i) alignment of reported inhibitors displaying their overlapping pharmacophoric points, (ii) the derived Pharmacophore model-1(Ph-1); (b) The plot indicates the correlation between the binding energies of the reported inhibitors and their pharmocophoric similarity with respect to Ph-1 (R = 0.90); (c) (i) pharmacophore modelling of the reported PLp inhibitors from their bio-active conformation (i) alignment of reported inhibitors displaying their overlapping pharmacophoric points, (ii) the derived pharmacophore model-2 (Ph-2); (d) the plot indicates the correlation between the binding energies of the reported inhibitors and their pharmocophoric similarity with respect to Ph-2 (R = 0.92).