Table 2 Bioactivity scores of key phytochemicals of RA based on Molinspiration cheminformatics.
Compound | GPCR ligand | Ion channel modulator | Kinase inhibitor | Nuclear receptor ligand | Protease inhibitor | Enzyme inhibitor |
|---|---|---|---|---|---|---|
MOL000211 | 0.31 | 0.03 | -0.50 | 0.93 | 0.14 | 0.55 |
MOL000239 | -0.10 | -0.21 | 0.13 | 0.22 | -0.26 | 0.17 |
MOL000033 | 0.15 | 0.04 | -0.49 | 0.70 | 0.06 | 0.49 |
MOL000354 | -0.10 | -0.26 | 0.25 | 0.28 | -0.30 | 0.22 |
MOL000371 | 0.21 | -0.24 | -0.14 | -0.06 | -0.36 | 0.37 |
MOL000374 | -0.11 | -0.72 | -0.41 | -0.24 | -0.11 | -0.14 |
MOL000378 | 0.01 | -0.10 | 0.01 | 0.28 | -0.21 | 0.15 |
MOL000379 | 0.25 | -0.10 | -0.10 | -0.01 | -0.14 | 0.053 |
MOL000380 | 0.27 | -0.17 | -0.09 | 0.05 | -0.38 | 0.46 |
MOL000387 | -0.00 | -0.16 | -0.16 | -0.08 | -0.12 | -0.04 |
MOL000392 | -0.30 | -0.69 | -0.19 | 0.05 | -0.80 | -0.02 |
MOL000417 | -0.25 | -0.65 | -0.08 | 0.06 | -0.78 | 0.01 |
MOL000422 | -0.10 | -0.21 | 0.21 | 0.32 | -0.27 | 0.26 |
MOL000433 | 0.27 | -0.08 | 0.10 | -0.49 | 0.12 | 0.51 |
MOL000438 | 0.03 | -0.07 | 0.04 | 0.32 | -0.24 | 0.18 |
MOL000439 | -0.07 | -0.62 | -0.34 | -0.20 | -0.08 | -0.07 |
MOL000442 | 0.03 | -0.26 | 0.00 | 0.30 | -0.15 | 0.28 |
MOL000098 | -0.06 | -0.19 | 0.28 | 0.36 | -0.25 | 0.28 |
