Research Article

Pharmacotherapeutics and Molecular Mechanism of Phytochemicals in Alleviating Hormone-Responsive Breast Cancer

Table 2

Binding energies of 38 compounds.

Ligand nameBinding energy (kcal/mol)

Epicatechin-149.84
Epigallocatechin gallate-147.70
Resveratrol-135.77
Capsaicin-125.62
Gallic acid-122.86
Rosmarinic acid-122.42
Curcumin-119.53
Protocatechuic acid-111.88
Quercetin-110.56
6-Shogaol-108.48
Carnosic acid-108.14
Chalcone-102.82
Clove-102.17
Caffeic acid-100.72
Ascorbic acid-100.38
Carnosol-95.62
Rosmanol-94.50
Piperine-92.48
Flavone-85.64
Cinnamaldehyde-80.59
Propyl gallate-79.49
Flavanone-79.39
p-Coumaric acid-77.65
Epicatechin gallate-71.75
Eugenol-70.01
α-Terpineol-61.60
Myristicin-60.22
Carvacrol-59.99
Thymol-50.73
Flavonol-47.20
Ascorbyl palmitate-44.12
Menthol-42.21
Anthocyanin-38.76
1,8-Cineol-32.62
Safrole-26.67
p-Cymene-19.53
Exemestane-27.72
Letrozole-25.09