Table 2. Parameters of grid boxes for molecular docking of three targets, MMP-1 (PDB: 966C), MMP-3 (PDB: 1G4K) and MMP-9 (PDB: 2OW0), respectively
Protein
Size (Å)
3
Spacing (Å)
Coordinates (Å)
MMP-1
22 x 22 x 22
1.0
X = 9.166, Y = 6.703, Z = 36.278
MMP-3
20 x 20 x 20
1.0
X = 16.496, Y = 49.347, Z = 68.602
MMP-9
22 x 22 x 22
1.0
X = 26.068, Y = 7.540, Z = 47.575