Fig 1: (A) Three-dimensional binding mode of 15 (green sticks), (B) 2D binding mode of 15, (C) 3D binding mode of 16 (cyan sticks), and (D) 2D binding mode of 16 in MMP-9 catalytic (PDB code: 1GKC [75]).
Fig 2: (A) 2D binding mode of 6d, (B) 3D binding mode of 6d (Green sticks), (C) 3D cartoon binding mode of 6d, (D) 2D binding mode of reference reverse hydroxamate inhibitor (NFH), (E) 3D binding mode of reference reverse hydroxamate inhibitor (red sticks), into the active site of MMP-9 catalytic domain (PDB ID: 1GKC81) The zinc ions are shown as blue spheres.
Fig 3: MMP-9 pharmacophore model with purchased-partial match hits: (A) NSC3276, (B) NSC123019.Aro stands for the aromatic ring, Hyd: hydrophobic, Acc: acceptor, Don: donor group. Picture made by MOE [15].
Fig 4: MMP-9 pharmacophore model with full match hits: (A) NSC32903, (B) NSC116564.Aro stands for the aromatic ring, Hyd: hydrophobic, Acc: acceptor, Don: donor groups. Picture made by MOE [15].
Fig 5: The binding domains of (A) WT MMP-9 (PDB ID: 1GKC) and (B) MUT MMP-9 (PDB ID: 2OW1) accommodate the verified series.Carbon (C) atoms are depicted in grey color, N blue color, and O red color. H bonds and valence were removed for clarification. Zinc metal is presented as a sphere (metallic color). Picture visualized by PYMOL [37].
Supplier Page from Abcam for MMP9 Inhibitor Screening Assay Kit (Colorimetric)