Fundamental study on the anti-inflammatory activity of the petroleum ether extract from Melastoma dodecandrum based on spectrum-effect relationship
OBJECTIVE To explore the material basis of the anti-inflammatory effect of the petroleum ether extract from Melastoma dodecandrum by establishing its fingerprint and combining it with cellular pharmacodynamics experiments. METHODS HPLC method was adopted;the fingerprints of 20 batches of petroleum ether extract from M. dodecandrum were drawn using The Similarity Evaluation System of TCM Chromatographic Fingerprint (2012 edition);similarity evaluation and common peak identification were carried out. The lipopolysaccharide-induced inflammation model of mice mononuclear macrophages (RAW264.7) was established;the inhibitory rates of nitric oxide (NO) and tumor necrosis factor α (TNF-α) were used as indexes to investigate the anti-inflammatory activity of the petroleum ether extract from M. dodecandrum;grey correlation degree method and partial least square regression analysis were adopted to study the spectrum-effect relationship. Molecular docking was used to validate the binding activity of the anti-inflammatory active ingredients with TNF-α and iNOS protein receptor. RESULTS There were 19 common peaks in the fingerprint of the petroleum ether extract from M. dodecandrum,the similarity of 20 batches of samples ranged from 0.603-0.990,and five components were identified,such as vitexin (peak 5),isovitexin (peak 6),ellagic acid (peak 7),quercetin (peak 9) and luteolin (peak 10). The grey correlation degree between 19 common peaks of the petroleum ether extract from M. dodecandrum and the inhibition rates of NO and TNF-α were all greater than 0.7;peaks 19,13,9 (quercetin),12,5 (vitexin),6 (isovitexin),8,7 (ellagic acid),18,1 were positively correlated with NO inhibition rate,and peaks 8,10 (luteolin),13,15,3,19,17,7 (ellagic acid),18,1 were positively correlated with inhibition rate of TNF-α. The binding energies of vitexin,isovitexin and quercetin with iNOS protein receptor were less than-5.0 kcal/mol. CONCLUSIONS Vitexin,isovitexin and quercetin may be the basis of the anti-inflammatory effect of the petroleum ether extract from M. dodecandrum.
万方数据
维普
