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©The Author(s) 2022.
World J Clin Cases. Nov 26, 2022; 10(33): 12104-12115
Published online Nov 26, 2022. doi: 10.12998/wjcc.v10.i33.12104
Published online Nov 26, 2022. doi: 10.12998/wjcc.v10.i33.12104
Table 2 Molecular docking of key compounds and core targets
| Compound | Target point | Combined energy (kJ·mol-1) | Number of hydrogen bonds | Hydrogen bonding residue(s) |
| Stigmasterol | Cyclin-dependent kinases-2 | -6.3 | 2 | SER249 ARG260 |
| β-sitosterol | Cyclin-dependent kinases-2 | -7.3 | 1 | PRO228 |
| Verbascoside | Cyclin-dependent kinases-2 | -7.2 | 4 | ALA282 SER276 LYS273 ASN272 |
- Citation: Li ZH, Yang GH, Wang F. Molecular mechanisms of Baihedihuang decoction as a treatment for breast cancer related anxiety: A network pharmacology and molecular docking study. World J Clin Cases 2022; 10(33): 12104-12115
- URL: https://www.wjgnet.com/2307-8960/full/v10/i33/12104.htm
- DOI: https://dx.doi.org/10.12998/wjcc.v10.i33.12104