Study on Network Pharmacology of Superior Components of Fagopyrum dibotrys / 中国药房

OBJECTIVE：To study the pharmacological effects and possible molecular mechanism of the superior components in Fagopyrum dibotrys . METHODS ：Based on network pharmacology ，by selecting DL ＞0.18 and OB ＞30％ as criteria ，superior components of F. dibotrys were screened out ，using the traditional Chinese medicine integrated pharmacology （TCMIP）platform. Pharm Mapper database was utilized to obtain the potential targets of each components ；Kyoto gene and genome database （KEGG） signal pathway analysis and gene ontology （GO）bioprocess enrichment analysis were performed for target protein with DAVID database（all using P＜0.05 as criteria ）. RESULTS ：15 kinds of superior components [such as quercetin ，luteolin，procyanidin B 1， （+）catechin and β-sitosterol，etc.] and 114 target proteins （such as estradiol 17-β-dehydrogenase 1，cAMP specific 3，5-cyclic phosphodiesterase 4D，vitamin D 3 receptor，uridine cytidine kinase 2，urokinase triphosphate encoded by HRAS gene ，etc.）were screened out ，involving 34 important pathways ，like MAPK signaling pathway ，VEGF signaling pathway ，chemokine signaling pathway and insulin signaling pathway ；among them ，11 were cancer-related pathways ，7 were metabolic-related pathways ，4 were endocrine-related pathways. The involved molecular functions included steroid receptor activity ，ligand dependent nuclear receptor activity，protein kinase activity ，etc.；cell components included cell fluid ，cell fragment ，soluble part ，etc.；biological processes included the regulation of apoptosis ，the process of organic response ，the process of endogenous stimulation response ，etc. CONCLUSIONS：F. dibotrys may play anti-tumor effects ，anti-inflammatory effects ，regulation of glycolipid metabolism by acting on MAPK signaling pathway ，VEGF signaling pathway ，chemokine signaling pathway and insulin signaling pathway.

Prediction and partial verification of potential target proteins of saikosaponins and their metabolites / 中国药理学与毒理学杂志

OBJECTIVE To study saikosaponins (SSs) and their metabolites (a total of 30 compounds) in order to predict and verify partially potential target proteins. METHODS ①PharmMapper and Sybyl X were used to predict potential target proteins of SSs and their metabolites,and the binding model of saikosaponin a (SSa) and glutathione s-transferase A2 (GST A2) was investigated. ② In vitro experi?ments:HepRG cells were treated with SSa 0,0.03,0.06,0.13,0.25 and 0.50 mmol·L-1for 24 h,and cell viability was detected by CCK-8 analysis. HepaRG cells were treated with SSa 0, 0.03, 0.13 and 0.50 mmol·L-1for 24 h, and GST activity was detected. RESULTS ① PharmMapper and Sybyl X predicted the potential target proteins of SSs and their metabolites,including GST A2,phosphatidylcholine transfer protein, adenosine kinase, thymidylate synthase, estrogen receptor β, estradiol 17-beta-dehy?drogenase 1,proto-oncogene serine/threonine-protein kinase Pim1,bile acid receptor and cellular reti?noic acid-binding protein 2. The prediction results showed that SSa and GST A2 had the highest total score and a well-matched binding model, so they were most likely to interact. ② In vitro experiments:SSa could inhibit HepaRG cell viability in a concentration-dependent manner (R2=0.8848,P<0.05).Significant increases in activity of GST were observed after treatment with SSa. CONCLUSION The potential target proteins of SSs and their metabolites are GST, phosphatidylcholine transfer protein etc. GST may be one of the target proteins of SSa.