Table 5 Summary of predicted molinspiration bioactivity score for all selected alkaloids as compared to standard.
Compounds | Bioactivity Score | |||||
|---|---|---|---|---|---|---|
GPCR ligand | Ion channel modulator | Kinase inhibitor | Nuclear receptor ligand | Protease inhibitor | Enzyme inhibitor | |
Oxyacanthine | -0.01 | -0.61 | -0.49 | -0.56 | -0.08 | -0.32 |
Neferine | -0.11 | -0.76 | -0.55 | -0.59 | -0.09 | -0.45 |
Magnoflorine | 0.37 | 0.78 | -0.20 | -0.26 | -0.19 | 0.26 |
Corynoline | 0.28 | 0.04 | -0.19 | 0.05 | -0.03 | 0.09 |
Columbamine | -0.07 | 0.82 | -0.19 | -0.59 | -0.30 | 0.90 |
Berberine | -0.86 | -0.36 | -1.14 | -0.78 | -1.29 | -0.41 |
Berbamine | -0.01 | -0.61 | -0.49 | -0.56 | -0.08 | -0.32 |
Palmatine | -0.10 | 0.74 | -0.22 | -0.65 | -0.29 | 0.81 |
Tranilast | -0.14 | -0.22 | -0.22 | -0.02 | -0.25 | -0.09 |
Oridonin (Natural compound) | 0.10 | 0.27 | -0.19 | 0.73 | 0.08 | 0.53 |
