| Objective1. Using data mining methods to analyze the composition rules of Chinese patent drugs with heat-clearing, and to find the potential drug combinations with apriori algorithm and complex system entropy cluster.2. According the data mining of the pharmaceutical composition, combined with the network pharmacological methods to investigate the mechanism of the disease treatment.Methods1. Improved mutual information, complex system entropy clustering methodsThis study is based on the prescriptions of Chinese patent drugs with heat-clearing in "The new national medicine" to build a database. The methods of association rules with apriori algorithm and complex system entropy cluster were used to achieve the frequency of medicines and association rules between drugs, and found that the combination of core, in order to clear the intrinsic link between the disease of TCM.2. Network pharmacology AnalysisThrough the data mining method to obtain the drug combination as the research foundation, using the network pharmacology analysis method from the traditional Chinese medicine- compound -target -disease positive predictive medicine main function mechanism. The interaction between the active component and the target and the signal pathway is mainly discussed.Contents1.In the study of the total prescription, the data-mining results indicated that in the prescriptions of Chinese patent drugs with heat-clearing, the frequently of the first five used drugs were Radix et Rhizoma Glycyrrhizae(325), Radix Scutellariae(273), Borneol(211), Flos Lonicerae Japonicae (184) and Radix et Rhizoma Rhei(169); the frequently of the first five used drugs combinations were "Radix Scutellariae,Radix et Rhizoma Glycyrrhizae"(101)," Radix Scutellariae, Fructus Gardeniae"(94)," Radix et Rhizoma Glycyrrhizae, RadixPlatycodonis"(91)," Flos Lonicerae Japonicae, Fructus Forsythiae"(89)," Fructus Forsythiae, Radix et Rhizoma Glycyrrhizae"(85). Under the condition of the number of support more than 60, confidence level more than 0.4, the drug combination association rules were 16, of which the first five were" Calculus Bovis-> Borneol"(confidence level=0.7857)," Cinnabaris-> Borneol"(0.7159),"Radix Platycodonis-> Radix et Rhizoma Glycyrrhizae" (0.6947)," Fructus Gardeniae->Radix,Scutellariae" (06861), "Peppermint->Radix et Rhizoma Glycyrrhizae" (0.625). The first five of the correlation between drug which based on the improved mutual information method were "Cinnabar, Scorpion"(correlation cosfficient=0.0343), "Cinnabar, Margarita"(0.0263)," Cinnabar, Rhizoma Gastrodiae"(0.0257)," Cinnabar, Cornu Bubali"(0.0251),"Tabasheer,Calculus Bovis"(0.0211). Potential combination drug based on a complex system entropy clustering results of 30.2. Studying on the prescription rule of single herbs containing prescription(1) Studying on the prescription rule of Containing licorice prescription:the frequently of the first three used drugs were Radix et Rhizoma Glycyrrhizae(325), Radix Scutellariae(108), Radix Platycodonis(93); the frequently of the first three used drugs combinations were" Radix Scutellariae, Radix et Rhizoma Glycyrrhizae"(101)," Radix et Rhizoma Glycyrrhizae, Radix Platycodonis"(91),"Fructus Forsythiae, Radix et Rhizoma Glycyrrhizae"(85); Under the condition of the number of support more than 40, confidence level more than 0.90, the drug combination association rules were 21, the confidence level of one was six, including" Flos Lonicerae Japonicae-> Radix et Rhizoma Glycyrrhizae","Radix Saposhnikovia->Radix et Rhizoma Glycyrrhizae","Borneol-> Radix et Rhizoma Glycyrrhizae" " Flos Lonicerae Japonicae, Fructus Forsythiae-> Radix et Rhizoma Glycyrrhizae"" Fructus Forsythiae, Radix Platycodonis-> Radix et Rhizoma Glycyrrhizae ", "Herba Menthae, Radix Platycodonis-> Radix et Rhizoma Glycyrrhizae".(2) Studying on the prescription rule of Containing Radix Scutellaeiae prescription:the frequently of the first three used drugs were Radix Scutellaeiae(213), Radix et Rhizoma Glycyrrhizae(102), Fructus Gardeniae(94); the frequently of the first three used drugs combinations were" Radix Scutellaeiae, Radix et Rhizoma Glycyrrhizae"(101)," Radix Scutellaeiae, Fructus Gardeniae"(94)" Radix Scutellaeiae, Radix et Rhizoma Rhei"(80); Under the condition of the number of support more than 40, confidence level more than 0.50, the drug combination association rules were 26, the confidence level of one was 12, as "Borneol-> Radix Scutellaeiae"," Fructus Gardeniae-> Radix Scutellaeiae"," Gypsum Filrosum-> Radix Scutellaeiae ", " Flos Lonicerae Japonicae-> Radix Scutellaeiae "(3) Studying on the prescription rule of Containing Borneol prescription:the frequently of the first three used drugs were Borneol(211), Rhizoma Cptidis(70), Radix et Rhizoma Glycyrrhizae(67); the frequently of the first three used drugs combinations were" Borneol, Rhizoma Cptidis"(70)," Borneol, Radix et Rhizoma Glycyrrhizae"(67)," Borneol, Calculus Bovis"(66); Under the condition of the number of support more than 30, confidence level more than 0.60, the drug combination association rules were 28, the confidence level of one was 22, as "Cinnabar-> Borneol"," Margarita-> Borneol"," Realgar-> Borneol"," Sal Sedatirum-> Borneol"," Muschus-> Borneol" and so on.(4) Studying on the prescription rule of Containing Flos Lonicerae Japonicae prescription:the frequently of the first three used drugs were Flos Lonicerae Japonicae(\84), Fructus Forsythiae(89), Radix et Rhizoma Glycyrrhizae(79); the frequently of the first three used drugs combinations were" Flos Lonicerae Japonicae, Fructus Forsythiae"(89)," Flos Lonicerae Japonicae, Radix et Rhizoma Glycyrrhizae"(79)," Radix Scutellaeiae, Flos Lonicerae Japonicae"(78); Under the condition of the number of support more than 30, confidence level more than 0.60, the drug combination association rules were 25, the confidence level of one was 16,as" Gypsum Filrosum ->Flos Lonicerae Japonicae"," Radix Scutellaeiae,->Flos Lonicerae Japonicae"," Fructus Forsythiae ->Flos Lonicerae Japonicae"," Radix Paeoniae Rubra->Flos Lonicerae Japonicae"," Radix et Rhizoma Glycyrrhizae ->Flos Lonicerae Japonicae" and so on.(5) Studying on the prescription rule of Containing Radix et Rhizoma Rhei prescription: the frequently of the first three used drugs were Radix et Rhizoma Rhei(169), Radix Scutellaeiae(80), Radix et Rhizoma Glycyrrhizae(64); the frequently of the first three used drugs combinations were" Radix Scutellaeiae, Radix et Rhizoma Rhei"(80)," Radix et Rhizoma Glycyrrhizae, Radix et Rhizoma Rhei"(63)," Borneol, Radix et Rhizoma Rhei"(54); under the condition of the number of support more than 30, confidence level more than 0.60, the drug combination association rules were 14, the confidence level of one was 9, as" Radix Scutellaeiae-> Radix et Rhizoma Rhei"," Cortex Phellodendri Chinensis-> Radix et Rhizoma Rhei"," Flos Lonicerae Japonicae-> Radix et Rhizoma Rhei"," Fructus Forsythiae -> Radix et Rhizoma Rhei", " Radix Paeoniae Rubra-> Radix et Rhizoma Rhei" and so on.(6) Studying on the prescription rule of Containing Fructus Forsythiae prescription:the frequently of the first three used drugs were Fructus Forsythiae (159), Flos Lonicerae Japonicae (89), Radix et Rhizoma Glycyrrhizae(85); the frequently of the first three used drugs combinations were" Flos Lonicerae Japonicae, Fructus Forsythiae"(89)," Fructus Forsythiae, Radix et Rhizoma Glycyrrhizae"(85)," Radix Scutellaeiae Fructus Forsythiae,"(77); under the condition of the number of support more than 30, confidence level more than 0.90, the drug combination association rules were 23,and the confidence level all was one, as" Gypsum Filrosum-> Fructus Forsythiae"," Radix Scutellaeiae-> Fructus Forsythiae"," Fructus Gardeniae-> Fructus Forsythiae"," Flos Lonicerae Japonicae-> Fructus Forsythiae"," Radix Scrophulariae-> Fructus Forsythiae" and so on.(7) Studying on the prescription rule of Containing Rhizoma Cptidis prescription:the frequently of the first three used drugs were Rhizoma Cptidis(156), Borneol(72), Radix Scutellaeiae(71); the frequently of the first three used drugs combinations were" Radix Scutellaeiae, Rhizoma Cptidis"(70)" Borneol, Rhizoma Cptidis"(70)," Rhizoma Cptidis, Radix et Rhizoma Glycyrrhizae"(63); under the condition of the number of support more than 30, confidence level more than 0.80, the drug combination association rules were 20, the confidence level of one was 7, as "Calculus Bovis ->Rhizoma Cptidis"," Fructus Gardeniae->Rhizoma Cptidis"." Borneol, Radix Scutellaeiae-> Rhizoma Cptidis"," Radix Scutellaeiae, Fructus Gardeniae ->Rhizoma Cptidis"and so on.(8) Studying on the prescription rule of Containing Fructus Gardeniae prescription:the frequently of the first three used drugs were Fructus Gardeniae(137), Radix Scutellaeiae(94), Radix et Rhizoma Glycyrrhizae(58); the frequently of the first three used drugs combinations were" Radix Scutellaeiae Fructus Gardeniae,"(94)," Fructus Gardeniae, Radix et Rhizoma Glycyrrhizae"(58)" Fructus Gardeniae, Radix et Rhizoma Rhei"(53); under the condition of the number of support more than 30, confidence level more than 0.80, the drug combination association rules were 20, the confidence level of one was 14, as" Radix Scutellaeiae->Fructus Gardeniae", " Flos Lonicerae Japonicae ->Fructus Gardeniae", " Fructus Forsythiae ->Fructus Gardeniae", "Herba Menthae ->Fructus Gardeniae", " Radix et Rhizoma Glycyrrhizae ->Fructus Gardeniae" and so on.(9) Studying on the prescription rule of Containing Radix Platycodonis prescription:the frequently of the first three used drugs were Radix Platycodonis(131), Radix et Rhizoma Glycyrrhizae(91), Fructus Forsythiae(61); the frequently of the first three used drugs combinations were" Radix et Rhizoma Glycyrrhizae, Radix Platycodonis"(91)," Fructus Forsythiae, Radix Platycodonis"(61)," Radix Scutellaeiae, Radix Platycodonis"(59); under the condition of the number of support more than 30, confidence level more than 0.80, the drug combination association rules were 18, the confidence level of one was 13, as" Radix et Rhizoma Glycyrrhizae- >Radix Platycodonis", " Radix Scutellaeiae ->Radix Platycodonis", " Flos Lonicerae Japonicae- >Radix Platycodonis", " Fructus Forsythiae ->Radix Platycodonis", " Herba Menthae ->Radix Platycodonis"and so on.(10) Studying on the prescription rule of Containing Herba Menthae prescription:the frequently of the first three used drugs were Herba Menthae(120), Radix et Rhizoma Glycyrrhizae(96), Radix Platycodonis(73); the frequently of the first three used drugs combinations were" Radix et Rhizoma Glycyrrhizae, Radix Platycodonis"(75)," Herba Menthae.Radix Platycodonis"(56)," Fructus Forsythiae, Herba Menthae"(54); under the condition of the number of support more than 30, confidence level more than 0.70, the drug combination association rules were 24, the confidence level of first three used drugs combinations were "Divaricate Saposhnikovia Root-> Herba Menthae"(0.9\67)," Fructus Forsythiae, Radix Platycodonis-> Radix et Rhizoma Glycyrrhizae"(0.8571)," Fructus Forsythiae, Herba Menthae, Radix Platycodonis-> Radix et Rhizoma Glycyrrhizae".3. Using network pharmacology method to investigate the efficacy and compatibility mechanism of Licorice Root-Platycodon Root and Flos Lonicerae Japonicae-Weeping Forsythia Capsule. In the pharmaceutical composition of Licorice Root-Platycodon Root, Contains 102 compounds in Platycodon Root and 280 compounds in Licorice. But through the OB, DL condition screening 43 candidate active molecules, the corresponding target has 98, there are 224 kinds of related diseases; The value of the first three candidate compounds were naringenin (48), formononetin (41), shinpterocarpin (36), and the degree of target proteins were PTGS2 (32), PPAR gamma (21), ERS1 (18); The higher degree of the related diseases are non-specific cancer, inflammation, followed by pain, breast cancer, Alzheimer’s disease, the three degree values are equal. In the pharmaceutical composition of Flos Lonicerae Japonicae-Weeping Forsythia Capsule, Contains 236 compounds in Flos Lonicerae Japonicae and 150 compounds in Weeping Forsythia Capsule. But through the OB, DL condition screening 16 candidate active molecules, the corresponding target has 64, there are 166 kinds of related diseases; The value of the first three candidate compounds are bicuculline (37), turpentine monomethyl ether (30),5-hydroxy-7-methoxy-2-3,4,5-trimethoxyphenyl chromone (30); There are 5 target protein degree is equal to 13, respectively, SLC6A3, DPP4, AR, NOS2, PTGS2; The related diseases with high degree value are non-specific cancer, Alzheimer’s disease, followed by breast cancer, pain, cardiovascular disease, inflammation, and so on.Conclusion1.There were more kinds of compatibility of medicines in the heat-clearing drug, in addition to the heat in the clear solution based drugs, but also to course wind and resolve the exterior, such as Peppermint, Divaricate Saposhnikovia Root, and the relieving spasm by calming endogenous wind such as Cinnabar, Cow-bezoar, as well as invigorating qi and strengthening the spleen like Poria, Milkvetch Root, so the clinical application was very extensive. And we should pay attention to syndrome differentiation in clinical use, especially in the process of combined drug use, to distinguish drug composition, in order to prevent the occurrence of adverse reactions between different drugs.2. The couplet medicines of Licorice Root-Platycodon Root and Flos Lonicerae Japonicae-Weeping Forsythia Capsule on the chemical composition contained in the complex, diverse drug targets, involving the disease is also very broad. And the pharmacological effects with anti-inflammatory, anti-cancer dominated by mainly upper respiratory infection. Combined with this study of two couplet medicines conjecture can do more research in cardiovascular disease or neurological diseases. |
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