Table 2.
Docking results of matrine and metformin to selected protein targets
| Target | Target name | HSP90 | HSF1 | HSP72 | SREBP-1c |
| PDB code | 3T0Z | 2LDU | 3ATU | 1AM9 | |
| Ligand scoring (kcal·mol−1) | Matrine | −6.743 | −2.419 | −2.878 | −1.902 |
| Metformin | −4.315 | −2.480 | −4.943 | −1.853 | |
| Ganetespib | −7.000 | n.d. | n.d. | n.d. |
The interactions between matrine or metformin and a series of selected protein targets were simulated by software Schrödinger suite (Schrödinger LLC). X-ray crystal structures of protein targets with relatively high resolution and complete structure were acquired from the Protein Data Bank (http://www.rcsb.org/pdb/). Ganetespib is a reported HSP90 inhibitor. n.d., not determined.