Table 4 Various categories of energy parameters and Ki values about the interactions between CEBPD and the ligands were computed employing the AutoDock 4.0 tool
From: Exploring molecular targets: herbal isolates in cervical cancer therapy
PubChem ID | Name | Free binding energy | Intermolecular energy | Internal energy | Torsional free energy | Unbound system’s energy | Ki |
|---|---|---|---|---|---|---|---|
5,281,672 | Myricetin |  − 8.44 |  − 7.04 |  − 4.87 | 2.39 |  − 1.09 | 650.77 nM |
969,516 | Curcumin |  − 7.11 |  − 8.48 |  − 2.97 | 3.58 |  − 0.76 | 6.12 µM |
1203 | Epicatechin |  − 6.53 |  − 6.62 |  − 2.29 | 1.79 |  − 0.59 | 16.46 µM |
72,323 | Jatrorrhizine |  − 6.13 |  − 6.91 | 0.81 | 1.19 |  − 0.41 | 32.36 µM |
5,281,832 | Arborinine |  − 5.3 |  − 5.86 |  − 0.85 | 0.89 |  − 0.52 | 130.99 µM |