Raphasemenate A-J: Ten phenylpropionates with antibacterial activity from Raphani Semen
Meng-Qi Yan1, Kang Yang1, Rui-Tong Du1
1Key Laboratory of Basic and Application Research of Beiyao (Ministry of Education), Heilongjiang University of Chinese Medicine, Harbin 150040, People's Republic of China.
Abstract:
Ten new phenylpropionate compounds, along with ten known analogs, were identified in the extract of Raphani Semen. Comprehensive spectroscopic analyses were conducted to determine their structural characteristics. The antibacterial activity evaluation revealed that a number of compounds exhibited inhibitory effects against Staphylococcus aureus, with 4 displaying excellent antibacterial activity. In addition, when compound 4 was combined with ampicillin sodium, an additive effect was observed, which may enhance the antibacterial activity of the antibiotic. Notably, the antibacterial mechanism of 4 was predicted using network pharmacology, which revealed that proteins such as EGFR, GAPDH, and MMP9 are the core targets, and this was validated through molecular docking and molecular dynamics simulations. These findings contribute to a deeper understanding of the antibacterial mechanisms of phenylpropionate from Raphani Semen.
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