Chemical composition, pharmacodynamic activity of processed Aconitum brachypodum Diels., and molecular docking analysis of its active target

Aconitum brachypodum Diels. (AB.) is a plant of L. The dried roots AB have analgesic and anti-inflammatory activity. However, the processing required to reduce toxicity before use because its high toxicity. Studies on toxicity, pharmacodynamics, chemical composition processed PAB. are still lacking at present. In this study, changes PAB were determined by ultra-performance liquid chromatography-quadrupole/electrostatic field orbitrap high-resolution mass spectrometry (UPLC-QE-Orbitrap-MS). intensity diester alkaloids was greatly reduced, while monoester significantly increased. An acute experiment used evaluate differences between PAB, acetic acid-induced writhing pain croton oil-induced ear edema applied properties. test showed that median lethal dose (LD50) 1.37 g/kg, maximal feasible (MFD) 30.0 g/kg. It apparent reduced. alkaloid component could inhibit mice’s times mice. Based above findings, ten compounds, including songoramine (1), neoline (2), bullatine C (3), dihydroatisine (4), bullatineA (5), maltol (6), 15-O-acetylsongorine (7), 15-O-acetylsongoramine (8), songorine (9), aldohypaconitine (10) isolated identified from Compounds 4, 6, 8, 10 firstly separate Finally, molecular docking target protein carried out. results indicated has strong binding ability with proteins, which may interact Akt1 phosphatidylinositol-3-kinase/serine-threonine kinase (Pi3k/Akt) pathway, while, adjust downstream nuclear factor kappa B (NF-κB) signaling pathway play an effect. UPLC-QE-Orbitrap-MS, analgesia, experiment, analysis made speculate efficacy