Research Article
Natural Compounds or Their Derivatives against Breast Cancer: A Computational Study
Table 1
Docking results for some natural compounds against BRCA1, BRCA2, and MDR1 proteins.
| | Compounds | BRCA1 (4Y2G) | BRCA2 (3EU7) | MDR1 (6C0V) |
| | α-Hederin | -6.9 | -11.0 | -8.3 | | Andrographolide | -6.2 | -8.2 | -9.2 | | Apigenin | -6.2 | -7.7 | -9.0 | | Ascorbic acid | -5.1 | -5.8 | -6.3 | | Asiatic acid | -6.5 | -8.9 | -8.1 | | Auricularic acid | -6.8 | -7.8 | -8.5 | | Citrinin | -7.5 | -7.6 | -7.6 | | Curcumin | -7.2 | -6.7 | -8.3 | | Hispolon | -7.8 | -6.7 | -7.4 | | Nerol | -4.8 | -5.8 | -5.6 | | Phytol | -4.9 | -6.4 | -6.0 | | Retinol palmitate | -5.8 | -6.1 | -6.2 | | Sclareol | -9.8 | -7.2 | -6.8 | | Sinularin | -6.5 | -9.0 | -8.4 | | Thymol | -5.2 | -6.5 | -6.7 | | Thymoquinone | -5.2 | -6.4 | -7.4 | | 5-Fluorouracil | -4.6 | -5.0 | -5.2 |
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