Figure 1

The molecular docking of SalB with MMP-9. (A) Chemical structure of SalB. (B) 3D structure of SalB. (C) Docking solution of SalB in the catalytic domain of MMP-9. Protein backbone of MMP-9 (2OVX) is shown in cartoon model, and protein surface is shown in transparency. Selected protein residues interacted with SalB are shown in line model, SalB in stick model, and the yellow dashed lines denote the hydrogen bonds between ligand and the enzyme. (D) 2D representation of SalB and MMP-9 interaction was analyzed using LIGPLOT. H-bond is represented as dashed line, and spiked residue represents hydrophobic contacts.