Table 6. The percentage of hydrogen bonds occupancy between the protein MMP-9 (PDB: 2OW0) and mulberrofuran H during the simulation period of 20 ns

Donor Acceptor Occupancy Percentage (%)
Complex MMP-9 and Mulberrofuran H His401 Ligand 83.07%
Ligand Pro421 77.67%
Ligand Met422 75.27%
Ligand Tyr420 70.03%
Ligand His401 66.53%
Ligand Ala417 65.13%
Ligand Leu418 61.29%
Leu188 Ligand 36.16%
Ligand Gly186 32.27%
Ligand Leu188 31.72%
Ligand Glu416 31.37%
Ligand Arg424 31.07%
Arg424 Ligand 30.87%
Tyr423 Ligand 29.32%
Gln402 Ligand 27.32%
Ligand Leu397 21.28%