Research Article
Pharmacotherapeutics and Molecular Mechanism of Phytochemicals in Alleviating Hormone-Responsive Breast Cancer
Table 1
Molecular docking scores of 38 compounds.
| Name | -Cdocker energy (kcal/mol) | -Cdocker interaction energy (kcal/mol) | Pharmacophore features |
| Curcumin | 19.05 | 55.14 | Yes | Capsaicin | 29.12 | 54.54 | Yes | Rosmarinic acid | 37.47 | 53.80 | Yes | 6-Shogaol | 38.99 | 52.98 | Yes | Epigallocatechin gallate | 20.15 | 50.63 | No | Rosmanol | 5.28 | 48.0 | Yes | Epicatechin | 32.40 | 47.65 | No | Piperine | 2.96 | 46.51 | Yes | Carnosol | 6.18 | 45.69 | Yes | Quercetin | 30.21 | 43.13 | No | Resveratrol | 29.11 | 42.74 | No | Carnosic acid | 1.59 | 41.87 | Yes | Chalcone | 30.68 | 41.62 | No | Propyl gallate | 44.10 | 40.87 | Yes | Flavanone | 29.83 | 37.69 | Yes | Ascorbic acid | 19.43 | 37.55 | No | Caffeic acid | 36.44 | 37.31 | No | Flavone | 28.59 | 36.43 | No | Clove | 36.51 | 36.15 | No | p-Coumaric acid | 32.43 | 35.36 | No | Flavonol | 30.12 | 34.97 | No | Anthocyanin | 13.40 | 32.56 | No | Gallic acid | 35.02 | 32.46 | No | Protocatechuic acid | 32.35 | 31.93 | No | Eugenol | 21.98 | 31.72 | Yes | Myristicin | 1.55 | 31.60 | Yes | Cinnamaldehyde | 26.41 | 30.94 | No | Epicatechin gallate | 4.15 | 30.93 | Yes | Carvacrol | 29.07 | 30.78 | No | Menthol | 20.40 | 30.76 | Yes | α-Terpineol | 1.94 | 30.76 | Yes | Thymol | 26.70 | 28.78 | No | 1,8-Cineol | 1.392 | 26.51 | No | Safrole | 0.38 | 25.1 | Yes | p-Cymene | 24.31 | 25.08 | No | Ascorbyl palmitate | 44.20 | 18.61 | Yes | Letrozole | 10.71 | 20.03 | Yes | Exemestane | 63.35 | 16.86 | Yes |
|
|