ABSTRACT
Due to worldwide abuse of chemical antibiotics and continuous emergence of "superbugs", the harm of bacterial drug resistance to human beings has become more and more serious. Therefore, it is of great significance to look for green antibiotics with a wide range of sources, broad antibacterial spectrum, non-toxicity or low toxicity, environmentally friendliness, diverse active components and low drug resistance. The volatile oil of traditional Chinese medicine is a kind of volatile oily liquid that exists in plants and can be distilled with steam and immiscible with water. Because of its good potential to resist drug-resistant pathogens, it is widely used in food, medicine and other fields. This paper summarized the antibacterial advantages and characteristics of volatile oil of traditional Chinese medicine, and the antibacterial effect and antibacterial mechanism of combined application of volatile oil of traditional Chinese medicine, in order to provide some theoretical basis and study ideas for solving the problem of bacterial drug resistance and developing natural and green antibiotics.
Subject(s)
Humans , Anti-Bacterial Agents/pharmacology , Anti-Infective Agents , Drugs, Chinese Herbal/pharmacology , Medicine, Chinese Traditional , Oils, Volatile/pharmacologyABSTRACT
Objective:Based on database mining, the high-frequency compatibility of Caryophylli Fols as the core in formulas for treating diarrhea was analyzed, and the network pharmacology was used to elucidate the mechanism of the core drug group containing Caryophylli Fols in the treatment of diarrhea. Method:The online database of traditional Chinese medicine (TCM) was intelligently crawled by Python 3.8.1 programming, and the compatibility rules of Caryophylli Fols were analyzed, and the TCM with support≥0.30, confidence≥0.90 and lift≥1.00 was set as the core drug group of Caryophylli Fols. The components were searched and screened by TCM Systems Pharmacology Database and Analysis Platform (TCMSP), and the disease targets were collected in Therapeutic Target Datebase (TTD), GeneCards and DisGeNET database with "Diarrhea" as the key word. The network diagram of "TCM-ingredients-potential targets" was constructed by Cytoscape 3.7.1 software, and the network of protein-protein interaction (PPI) was constructed by STRING 11.0. Gene Ontology (GO) and Kyoto Encyclopedia of Genes and Genomes (KEGG) enrichment analysis of potential targets was analyzed by R language, and the components of the core drug group were preliminarily verified and evaluated by Discovery Studio Client 2016 software. Result:A total of 155 formulas containing Caryophylli Fols for treating diarrhea were screened, involving 54 TCMs. The analysis of association rules showed that Caryophylli Fols was strongly associated with Myristicae Semen, Glycyrrhizae Radix et Rhizoma, Aucklandiae Radix and Atractylodis Macrocephalae Rhizoma in the treatment of diarrhea. The core drug group composed of these five TCMs involved 119 kinds of TCM ingredients and 114 potential targets, of which 104 potential targets were distributed in the nervous system, and the key targets were tumor protein p53 (TP53), transcription factor activator protein-1 (JUN), mitogen-activated protein kinase 8 (MAPK8), interleukin-6 (IL-6), 90 kDa heat shock protein <italic>α</italic>A1 (HSP90AA1) and so on. GO enrichment analysis mainly involved biological processes such as the regulation of neurotransmitter levels, blood circulation, hormone-mediated signal pathway and regulation of chemical synaptic transmission. IL-17 signal pathway, helper T cell 17 (Th17) cell differentiation, epidermal growth factor receptor and salmonella infection in KEGG pathways were closely related to the treatment of diarrhea. Molecular docking showed that the key target protein had high affinity with quercetin, kaempferol and <italic>β</italic>-sitosterol. Conclusion:The multi-components, multi-targets and multi-pathways involved in the core drug group of Caryophylli Fols are closely related to inflammation and nervous system, so it is speculated that it may treat diarrhea by repairing intestinal shielding integrity and regulating the levels of neurotransmitters.
ABSTRACT
Based on data mining and through the method of network pharmacology, we analyzed the mechanism of high-frequency use of herb pair in the treatment of constipation with aromatic traditional Chinese medicine in this study. Through data mining, aromatic traditional Chinese medicine was obtained for the treatment of constipation and Pericarpium Citri Reticulatae and Aucklandiae Radix herb pair was used as the research object. The volatile oil from Pericarpium Citri Reticulatae and Aucklandiae Radix was extracted by steam distillation, and the chemical compositions of the volatile oil were detected by gas chromatography-mass spectrometry(GC-MS). The targets of volatile oil from Pericarpium Citri Reticulatae and Aucklandiae Radix were searched by PubChem, TCMSP, STITCH and Swiss Target Prediction databases. The targets of constipation were predicted and screened in OMIM, Genecards-Search Resuits and TTD databases. The obtained targets were introduced into Cytoscape 3.7.1 to construct protein-protein interaction(PPI) network diagram for GO and KEGG pathway enrichment analysis by using R language. The network diagram of "component-target-pathway" was constructed according to the results of KEGG enrichment. Discovery Studio 2.5 software was used to verify the molecular docking between the components and the targets. Among them, the most frequently used pair of aromatic traditional Chinese medicine in the treatment of constipation was Pericarpium Citri Reticulatae and Aucklandiae Radix. A total of 33 compounds were detected by GC-MS, and a total of 180 common action targets of Pericarpium Citri Reticulatae and Aucklandiae Radix on volatile oil in the treatment of constipation were predicted. The key targets included CYP19 A1, PPARA, PGR, ACHE, SLC6 A2 and so on. GO enrichment analysis showed that the activities of Pericarpium Citri Reticulatae and Aucklandiae Radix on volatile oil were mainly involved in the biological processes such as circulatory system, blood circulation, and steroid hormone binding. In KEGG enrichment pathway, neuroactive ligand-receptor interaction, endocrine resistance, Ca~(2+) signal pathway and IL-17 signaling pathway showed significant effect on constipation. The results of molecular docking showed that PGR, the target protein related to the treatment of constipation, had a good binding with gamma-linolenic acid, dihydro-alpha-ionone, alpha-eudesmol, caryophyllene oxide and beta-ionone. The results show that by using data mining technology and network pharmacology, it is revealed that the active components of Pericarpium Citri Reticulatae and Aucklandiae volatile oil in high frequency use of aromatic traditional Chinese medicine can be used totreat constipation mainly through CYP19 A1, PPARA, PGR, ACHE, SLC6 A2 and other targets, providing a new idea and method for the further study of aromatic traditional Chinese medicine in the treatment of constipation.
Subject(s)
Humans , Citrus , Constipation , Data Mining , Drugs, Chinese Herbal , Medicine, Chinese Traditional , Molecular Docking SimulationABSTRACT
Eugenia caryophyllata,a plant of Myrtle family,has a long history of cultivation and application in China.It is a medicinal and edible homologous plant with rich pharmacological activities.At present,there have been reports on the pharmacological effects and chemical components of Caryophylli Flos,but the clinical research progress was less.Therefore,this paper was to summarize the studies on the chemical composition and pharmacological action of Caryophylli Flos,through literature review,this paper introduced the record of Caryophylli Flos in traditional Chinese medicine(TCM) and Mongolian medicine,the application frequency of Caryophylli Flos in traditional Mongolian medicine and its compatibility of drug-pair were analyzed with computer software.In addition,the use of Caryophylli Flos in Mongolian medicine was discussed from the aspects of their medicinal property,functional treatment and clinical application,so as to provide reference for the subsequent studies on Caryophylli Flos.