Table 4. Binding affinities (kcal.mol-1) of 9 compounds in the extract of Morus alba Moraceae after docking into the three protein targets MMP-1 (PDB: 966C), MMP-3 (PDB: 1G4K) and MMP-9 (PDB: 2OW0), respectively.
No | Compounds | MMP-1 | MMP-3 | MMP-9 |
1 | Mulberrofuran H | -8.23 | -8.87 | -8.34 |
2 | Mulberroside C | -8.01 | -5.92 | -8.27 |
3 | Kuwanon S | -7.52 | -7.64 | -6.54 |
4 | Moracin C | -7.17 | -7.50 | -7.50 |
5 | Quercetin | -6.27 | -6.08 | -5.81 |
6 | Kuwanon E | -6.17 | -6.35 | -4.62 |
7 | Mulberrofuran Y | -6.14 | -7.92 | -6.24 |
8 | Cudraflavone B | -6.05 | -7.44 | -6.20 |
9 | Morusinol | -5.45 | -7.02 | -6.04 |