Analysis of volatile components in herbal pair herba schizonepetae-ramulus cinnamomi

Analysis of volatile components in herbal pair (HP) herba schizonepetae-ramulus cinnamomi (HS-RC), single herb HS and RC was carried out by gas chromatography-mass spectrometry (GC-MS) data and chemometric resolution method (CRM). The two-dimensional data obtained from GC-MS instruments were resolved into a pure chromatogram and a mass spectrum of each chemical compound by CRM. In total, 47, 61 and 51 chemical components in volatile oil of HS, RC, and HP HS-RC were respectively determined qualitatively and quantitatively, accounting for 90.52%, 88.37%, and 88.72% total contents of volatile oil of HS, RC, and HP HS-RC, respectively. The number of the volatile components of HP HS-RC is almost the addition of that of two single herbs, but their relative contents are changed.

Comparative analysis of volatile constituents between herbal pair flos lonicerae-caulis lonicerae and its single herbs

Gas chromatography-mass spectrometry(GC-MS) and the chemometric resolution method(alternative moving window factor analysis,AMWFA) were used for comparative analysis of volatile constituents in herbal pair(HP) flos lonicerae-caulis lonicerae(FL-CL) and its single herbs.The temperature-programmed retention index(PTRI) was also employed for the identification of compounds.In total,44,39,and 50 volatile chemical components in volatile oil of FL,CL and HP FL-CL were separately determined qualitatively and quantitatively,accounting for 87.22%,94.54% and 90.08% total contents of volatile oil of FL,CL and HP FL-CL,respectively.The results show that there are 32 common volatile constituents between HP FL-CL and single herb FL,33 common volatile constituents between HP FL-CL and single herb CL,and 10 new constituents in the volatile oil of HP FL-CL.

Potential Synergistic and Multitarget Effect of Herbal Pair Chuanxiong Rhizome-Paeonia Albifora Pall on Osteoarthritis Disease:A Computational Pharmacology Approach

Objective：To study the polypharmacological mechanism of herbal pair Chuanxiong Rhizome-Paeonia Albifora Pall（HP CXR-PAP） on the treatment for osteoarthritis（OA）.Methods：Chemical space was used to discuss the similarities and differences between the molecule sets of HP CXR-PAP and drugs.Docking protocol was used to study the interaction between HP CXR-PAP and OA target enzymes.The similarities and differences of HP CXR-PAP and drugs in target spaces were elucidated by network features.Results：The plots between the molecule sets of HP CXR-PAP and drugs in chemical space had the majority in the same region, and compounds from HP CXR-PAP covered a much larger additional region of space than drug molecules, which denoted the diverse structural properties in the molecule set of HP CXR-PAP.The molecules in HP CXR-PAP had the properties of promiscuous drugs and combination drug,and both HP CXR-PAP ligand-target interaction network and drug ligand-target interaction network were similar in the interaction profiles and network features,which revealed the effects of multicomponent and multitarget.Conclusion：The clue of potential synergism was obtained in curing OA disease by Chinese medicine,which revealed the advantages of Chinese medicine for targeting osteoarthritis disease.

Investigation on the Metabolism of Salvianolic acid B, Tanshinone Ⅱ A, Ginsenoside Rg1 and Ginsenoside Rb1 from Danshen-Sanqi Herbal Pair in Zebrafish by Liquid Chromatography-Tandem Mass Spectrometry Analysis

Background:Salvianolic acid B(SAB),tanshinone IIA(TIIA),ginsenoside Rg1(GRg1)and ginsenoside Rb1(GRb1)are the main active components of Danshen-Sanqi herbal pair(DS-SQ),which is widely used in the treatment of cardiovascular diseases in Asia.The compatibility mechanisms of compound Chinese herbal preparation may be clarified to some degree by understanding the interactions of the active components based on their metabolic research.Furthermore,zebrafish is a convenient and feasible model to study the metabolism of drugs.Objective:To investigate the metabolism of SAB,TIIA,GRg1 and GRb1 in zebrafish by liquid chromatography-tandem mass spectrometry(LC-MS/MS)analysis.Methods:Zebrafish embryos after 48-hour hatching were divided into nine experimental groups.The blank group was exposed to 1 mL ultra-pure water.Eight drug-treated groups were exposed to 1 mL solution of SAB,TIIA,GRg1,GRb1,SAB and GRg1,SAB and GRb1,TIIA and GRg1,TIIA and GRb1,respectively.After homogenization,they were analyzed by LC-MS/MS.The Structures of the metabolites were determined by analyzing their corre-sponding mass spectra information and comparing the data with relevant literature.According to the change of the amount of metabolites,the metabolic effect between SAB,TIIA,GRg1 and GRb1 were investigated.Results:Eighteen metabolites and four parent drugs of SAB,TIIA,GRg1 and GRb1 in zebrafish were identified by LC-MS/MS,including methylation,degradation,reduction,dehydrogenation,hydroxylation,desugarization and glucuronidation metabolites.Furthermore,after being combined exposed of drugs,GRg1 and GRb1 could promote the metabolism of TIIA,while SAB and TIIA could promote the metabolism of GRg1 and GRb1 to different degree.Conclusion:By using LC-MS/MS analysis,zebrafish was successfully applied to study the metabolism of SAB,TIIA,GRg1 and GRb1,which is significance to explain the possible synergistic effect of components in DS-SQ through modifying the metabolism in zebrafish.This study can be helpful for the further research of DS-SQ.

Network Pharmacology-based Strategy for Predicting Active Ingredients and Potential Targets of Cuscutae semen and Lycii fructus in Spermatogenic Dysfunction

Background:Traditional Chinese Medicine(TCM)Cuscutae semen(SC,Tusizi from Cuscuta chinensis Lam.)and Lycii fructus(FL,Gouqi from Lycium barbarum L.),are also used as a herb pair(SC-FL)to treat various ailments,including spermatogenic dysfunction(SD),a disease responsible for low fertility in males.Objective:Herein,we will further determine the bioactive components,component targets and partial molecular mechanisms of the herb pair for the treatment of SD.Methods:We employed the traditional Chinese medicine systems pharmacology database in combination with Ultra high performance liquid chromatography(UHPLC)analysis to analyze the active ingredients of the SC-FL herbal pair and explore its possible targets and underlying mechanism in treatment of spermatogenic dysfunction(SD).Moreover,we used a Sprague-Dawley rat model,generated by using glucosides of Tripterygium wilfordii(GTW),to evaluate the effect of SC-FL and the underlying mechanism on SD and reliability of certain key targets and pathways obtained from the pharmacology analysis.Results:We identified 56 active ingredients in SC-LF affecting 41 overlapping gene signals that influenced SD treatment outcomes.262 Gene Ontology(GO)terms and 170 pathways were yielded under analyses of Gene Ontology,Kyoto Encyclopedia of Gene and Genome pathway from which we predicted that cell proliferation and apoptosis were the primary biological processes(BP)involved in the treatment of SD by SC-LF.The results showed that SC-FL treatment significantly improved the testicular organ coefficient along with sperm count and motility,while reduced testicular damage and testicular tissue cell apoptosis in SD model.Mechanistically,SC-FL significantly upregulated the expression levels of anti-apoptotic proteins AR and BCL2 and downregulated those of pro-apoptotic proteins BAD,BAX,cleaved caspase 3,and CASP3.Conclusion:Collectively,these results indicated that SC-FL elicited a protective effect by potentially regulating apoptosis,thus suggesting that it will represent an effective reagent for male infertility.