Table 2 The top 10 protein targets of reverse docking through molecular and pharmacodynamic shape with casticin
From: Casticin inhibits nasopharyngeal carcinoma growth by targeting phosphoinositide 3-kinase
| (ROCS BASED) Protein name | Rank | Tanimoto Combo | ShapeTanimoto |
|---|---|---|---|
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | 1 | 1.535 | 0.894 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | 2 | 1.137 | 0.752 |
| Mitogen-activated protein kinase 14 | 3 | 1.136 | 0.843 |
| Serine/threonine-protein kinase GSK3B | 4 | 1.113 | 0.839 |
| Phosphatidylinositol 3-kinase catalytic subunit type 3 | 5 | 1.097 | 0.766 |
| Acetylcholinesterase | 6 | 1.092 | 0.764 |
| cAMP-specific 3′,5′-cyclic phosphodiesterase 4D | 7 | 1.012 | 0.74 |
| Cyclin-dependent kinase 5 | 8 | 0.968 | 0.746 |
| Amine oxidase [flavin-containing] B | 9 | 0.965 | 0.762 |
| High affinity cGMP-specific 3′,5′-cyclic phosphodiesterase 9A | 10 | 0.921 | 0.685 |