4.The molecular mechanism between baicalin metal complexes and bovin serum album.
Ming GUO ; Xian TAN ; Ying WANG ; Xiao-yan GAO ; Zhou-ling WU ; Li-jun ZHANG
Acta Pharmaceutica Sinica 2015;50(5):613-620
In this paper, the new carbon nanotube modified glassy carbon electrode (F-CNTs/GCE) was prepared to establish a new method for studying the molecular interaction mechanism between baicalin metal complexes (BMC) and bovine serum album (BSA), and the principle of this method was discussed deeply. Under the physiological condition, the thermodynamics and kinetics properties of interaction between BMC and BSA were studied by cyclic voltammetry (CV) to inference their molecular effective mechanism. The results show that the presence of F-CNTs can accelerate the electron transfer, and better response signal was showed in the BMC/BMC-BSA system. The detection of interaction of BMC-BSA used new method show that BMC-BSA generates stable thermodynamically non-covalent compounds, and the obtained average binding sites of BMC-BSA were 1.7; the number of electron transfer in BMC/BMC-BSA reaction process was 2, and non electroactive supramolecular compounds of BMC-BSA were generated by this interacting reaction. The relevant research work provides a new way to study the molecular mechanism for the interaction of drugs with protein, and with a certain reference value for discussion on the non covalent interactions.
Animals
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Cattle
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Coordination Complexes
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chemistry
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Electrodes
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Flavonoids
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chemistry
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Kinetics
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Nanotubes, Carbon
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Serum Albumin, Bovine
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chemistry
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Thermodynamics
6.Study on professor Yan Zhenghua's medication regularity in treating heart diseases based on association rules and entropy cluster.
Jia-rui WU ; Wei-xian GUO ; Xiao-meng ZHANG ; Bing ZHANG ; Yue ZHANG
China Journal of Chinese Materia Medica 2015;40(8):1601-1604
In this study, Professor Yan Zhenghua's recipes for treating heart diseases were collected to determine the frequency and association rules among drugs by such data mining methods as apriori algorithm and complex system entropy cluster and summarize Pro- fessor Yan Zhenghua's medication experience in treating heart diseases. The results indicated that frequently used drugs included Salviae Miltiorrhizae Radix et Rhizoma, Parched Ziziphi Spinosae Semen, Polygoni Multiflori Caulis, Ostreae Concha, Poria; frequently used drug combinations included "Ostreae Concha, Draconis Os", "Polygoni Multiflori Caulis, Parched Ziziphi Spinosae Semen" , and "Salviae Miltiorrhizae Radix et Rhizoma, Parched Ziziphi Spinosae Semen". The drug combinations with the confidence of 1 included "Dalbergiae Odoriferae Lignum-->Salviae Miltiorrhizae Radix et Rhizoma", "Allii Macrostemonis Bulbus-->Parched Ziziphi Spinosae Semen", "Draconis Os-->Ostreae Concha", and "Salviae Miltiorrhizac Radix et Rhizoma, Draconis Os-->Ostreae Concha". The core drug combinations included" Chrysanthemi Flos-Gastrodiae Rhizoma-Tribuli Fructus", "Dipsaci Radix-Taxillus sutchuenensis-Achyranthis Bidentatae Radix", and "Margaritifera Concha-Polygoni Multiflori Caulis-Platycladi Semen-Draconis Os".
Drug Interactions
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Drug Therapy, Combination
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Drugs, Chinese Herbal
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chemistry
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history
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therapeutic use
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Entropy
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Heart Diseases
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drug therapy
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history
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History, 20th Century
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History, 21st Century
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Humans
7.Study on medication regularity of grand master of traditional Chinese medicine YAN Zheng-hua's Ostreae Concha-containing prescriptions based on data mining.
Jia-Rui WU ; Wei-Xian GUO ; Xiao-Meng ZHANG ; Bing YANG ; Bing ZHANG
China Journal of Chinese Materia Medica 2014;39(14):2762-2766
In this study, prescriptions were collected to establish a database based on the traditional Chinese medicine inheritance support system (TCMISS). Such data-mining methods as software's statistical statement module, data analysis module and apriori algorithm were used to analyze the frequency of single drug, the frequency of drug combination, the association rules and the core drug combinations of ostreae concha-containing prescriptions. The results showed that Ostreae Concha-containing prescriptions were frequently used to treat insomnia, vertigo, stomach-ache and other syndromes. The frequently used drugs included Ossis Mastodi Fossilia, Parched Ziziphi Spinosae Semen, Polygoni Multiflori Caulis, Salviae Miltiorrhizae Radix and Paeoniae Rubra Radix. The frequently used drug combinations included "Ostreae Concha and Ossis Mastodi Fossilia", "Ostreae Concha and Parched Ziziphi Spinosae Semen", and "Ostreae Concha and Polygoni Multiflori Caulis". The drug association rules with the confidence coefficient of more than 0. 95 included "Ossis Mastodi Fossilia-->Ostreae Concha", "Cocos Poria-Ossis Mastodi Fossilia-Ostreae Concha", "Ossis Mastodi Fossilia-Parched Ziziphi Spinosae Semen-->Ostreae Concha", and "Salviae Miltiorrhizae Radix-Ossis Mastodi Fossilia--Ostreae Concha".
Animals
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Chemistry, Pharmaceutical
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Data Mining
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Databases, Pharmaceutical
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Drug Prescriptions
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Humans
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Medicine, Chinese Traditional
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methods
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Ostrea
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chemistry
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Physicians
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Software
8.Analysis on principle of treatment of phlegm retention syndrome of Ma Peizhi based on apriori and clustering algorithm.
Jia-Rui WU ; Wei-Xian GUO ; Xiao-Meng ZHANG ; Xiu-Qin HUANG ; Bing YANG
China Journal of Chinese Materia Medica 2014;39(4):631-633
Analyzed the prescriptions for phlegm retention syndrome that built by Ma Peizhi by the association rules and clustering algorithm, the frequency of drug usage and the relationship between drugs could be get. And from that we could conclude the experiences for phlegm retention syndrome of Ma Peizhi of menghe medical genre. The results of the analysis were that 18 core combinations were dig out, such as Citri Exocarpium Rubrum-Eriobotryae Folium-Citri Reticulatae Pericarpium. And there were 9 new prescriptions were found out such as Aurantii Fructus-Citri Exocarpium Rubium-Eriobotryae Folium-Citri Reticulatae Pericarpium. The results of the analysis were proved that Ma Peizhi of Menghe Medical Genre was good at curing phlegm retention syndrome by using the traditional Chinese medicine of mild and light, such as the medicines of mild tonification, and clearing damp and promoting diuresis.
Algorithms
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Data Mining
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Databases, Factual
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Drug Prescriptions
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standards
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Drugs, Chinese Herbal
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therapeutic use
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Humans
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Mucus
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chemistry
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Practice Patterns, Physicians'
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Respiratory Tract Diseases
;
drug therapy
9.Analysis on medication rule in prescriptions for hemoptysis of Menghe physician Ma Peizhi based on knowledge-discovery in database.
Jia-Rui WU ; Wei-Xian GUO ; Xiu-Qin HUANG ; Bing ZHANG ; Xiao-Meng ZHANG
China Journal of Chinese Materia Medica 2014;39(4):627-630
The clinical prescriptions of hemoptysis that built by Menghe physician Ma Peizhi were collected, and were analyzed by the method of unsupervised data mining, such as association rules and clustering algorithm. From the prescriptions, we got the frequency of drugs, the association rules among drugs, 10 core drug combinations and 5 new prescriptions. Accordingly, after the analysis, Menghe physician Ma Peizhi had rich experience in the treatment of hemoptysis. His therapy for hemoptysis was clearing heat and moistening lung, dispel heat from blood to stop bleeding, and enriching yin and blood. And we can also make a conclusion that the TCM inheritance support system is of great practical value for minning the old doctors' clinical experiences.
Data Mining
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Databases, Factual
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Drug Prescriptions
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standards
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Drugs, Chinese Herbal
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chemistry
;
therapeutic use
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Hemoptysis
;
drug therapy
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Humans
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Practice Patterns, Physicians'
10.Analysis on principle of treatment of cough of yan zhenghua based on apriori and clustering algorithm.
Jia-Rui WU ; Wei-Xian GUO ; Xiao-Meng ZHANG ; Bing YANG ; Bing ZHANG
China Journal of Chinese Materia Medica 2014;39(4):623-626
Based on the data mining methods of association rules and clustering algorithm, the 188 prescriptions for cough that built by Yan Zhenghua were collected and analyzed to get the frequency of drug usage and the relationship between drugs. From which we could conclude the experiences of Yan Zhenghua for the treatment of cough. The results of the analysis were that 20 core combinations were dig out, such as Bambusae Caulis in Taenias-Almond-Sactmarsh Aster. And there were 10 new prescriptions were found out, such as Sactmarsh Aster-Scutellariae Radix-Album Viscum-Bambusae Caulis in Taenian-Eriobotryae Folium. The results of the analysis were proved that Yan Zhenghua was good at curing cough by using the traditional Chinese medicine that can dispel wind and heat from the body, and remove heat from the lung to relieve cough.
Algorithms
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Cough
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drug therapy
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Data Mining
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Drug Prescriptions
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Drug Therapy, Combination
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Drugs, Chinese Herbal
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therapeutic use
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Humans
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Practice Patterns, Physicians'