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Structure-based pharmacophore model. (A) Interaction feature (acceptor (green), the donor (magenta), hydrophobic (cyan)) clusters at the defined active site on E protein. (B) Four feature models comprising of (i) an acceptor targeting S60 hydroxyl atoms, (ii) donor anchoring the main chain atoms of C40, and (iii and iv) two hydrophobic features in the vicinity of V47 L28, L31, Y55, and P51 residues were included in the pharmacophore model.
