RESUMEN
Dahuang Lidan Pian contains Rheum palmatum, Gymnadenia conopsea and Phyllanthus emblica, which has a significant effect in the treatment of alcoholic fatty liver, cholestasis and cholecystitis. The efficacy of the formula in traditional Chinese medicine was clearing heat and promoting diuresis, removing dampness, detoxifying and relieving jaundice. These three herbs are widely used in the traditional Chinese medicine, Mongolian medicine and Tibetan medicine. Therefore, the formula was a representative subject in the researches for ethno-drugs. In this research, computer aided drug design methods were used to predict the action targets of the formula. Protein interaction network (PIN) was then constructed, and molecular complex detection (MCODE) clustering algorithm was used to obtain the modules of the formula, so as to analyze the potential action mechanism. The results showed that Rh. palmatum and P. emblica may have a synergistic protective effect on liver function by acting on analogous targets and pathways. G. conopsea regulated metabolic balance of nutrients to strengthen physical fitness. The research explained the liver-protecting mechanism of Dahuang Lidan Pian based on the PIN analysis on molecular network, which provides an reference for the further study of Dahuang Lidan Pian.
RESUMEN
Inflammation is one of the important risk factors of rheumatic diseases. Aconiti Radix is widely used for the treatment of rheumatism, which has significant anti-inflammatory effects. However, its anti-inflammatory mechanism on molecular level is still not clear. The purpose of this study is to illuminate the anti-inflammatory mechanism of Aconiti Radix based on the protein interaction network (PIN) analysis on molecular network level. The main anti-inflammatory components (aconitine, hypaconitine and mesaconitine) were chosen in this study to obtain the targets of the components and protein-protein information though databases retrieval and construct the PIN of Aconiti Radix. By a graph theoretic clustering algorithm molecular complex detection(MCODE), 13 modules were identified and analyzed by gene ontology(GO) enrichment. The results showed that the anti-inflammatory mechanism of Aconiti Radix was mainly associated with prostanoid metabolic process and leukocyte chemotaxis mediated by chemokines. In this study, the anti-inflammatory mechanism of Aconiti Radix was elucidated systematically from molecular network level, which provided the scientific basis for the treatment of rheumatic diseases.