Based On New Technologies And Methods Such As Molecular Docking To Study The Anti-lung Cancer Mechanism Of Spatholobi Monomer Compounds

Spatholobus suberectus Dunn(Spatholobus suberectus Dunn)is the dried cane of the leguminous plant Dentistry[1].The chemical components mainly contain flavonoids,phenolic acids and terpenes,etc.The main active ingredients include daidzein,licochalcone A,genistein,calycosin,etc.;In modern medicine and pharmacological research,it has been found that Caulis spatholobi can improve Blood system,anti-tumor,anti-virus and other effects.Our research group isolated Fengcheng Caulis spatholobi in the early stage and studied its anti-rheumatoid arthritis effect;the research on the active ingredients and mechanism of Caulis spatholobi is lacking,so this article studies the anti-lung cancer effect of Caulis spatholobi Active ingredients and mechanism of action.Obective: 1.To construct a fingerprint of Caulis spatholobi,and to use LC-MS to identify the chemical components of Caulis spatholobi to provide a basis for quality control of Caulis spatholobi.2.Establish network pharmacology,molecular docking and cell experiments to study the anti-lung cancer mechanism of Caulis spatholobi to provide a basis for subsequent anti-tumor research of Caulis spatholobi.Methods: 1.Identify the characteristics,microscopy,and thin-layer characteristics of Spatholobus spatholobi according to the relevant items of the Chinese Pharmacopoeia,and determine the water content,total ash content,and extract content of Spatholobus spatholobi,establish HPLC fingerprint spectrum,and use Triple TOF 5600+ mass spectrometry Detector,carry out positive and negative ion scanning,use peakview 1.2 software and analyze with relevant literature;2.Application of network pharmacology and molecular docking methods to construct a multi-level network model of "chemical composition-target-signal pathway-lung cancer" of Caulis spatholobi to predict the anti-tumor mechanism.3.Using in vitro cell experiments to screen out the anti-tumor active ingredients,key targets and signal pathways of Caulis spatholobi from the molecular level,and provide a scientific basis for the clinical application of Caulis spatholobi.Results: 1.The water content of 10 batches of Caulis spatholobi was less than13.0%,the total ash content was less than 4.0%,and the alcohol-insoluble extract was greater than 8.0%,all of which met the relevant standards.Ten batches of Caulis spatholobi fingerprints were established and evaluated by the 2012 version of the Chinese medicine chromatographic fingerprint similarity evaluation system software.The results showed that the similarity of the 10 batches of Caulis spatholobi was greater than 0.85,and a total of 13 common peaks were identified;the LC-MS method was used,The analysis and identification of 9 flavonoids in the chemical components of the spatholobus spatholobi were,prunetin Luteolin,artemisnin,dihydrokaempferol,Iiquiritigenin,Genistein,Formononetin,afromosin,catechin.2.Through network pharmacology,23 active ingredients and 170 potential drug targets were screened from the traditional Chinese medicine Caulis spatholobi,involving a total of 127 pathways.The molecular docking results showed that licorice chalcone A,(Z)-3-(4-hydroxy-3-methoxyphenyl)-N-[2-(4-hydroxyphenyl)ethyl]acrylamide,consume The close grain successfully docked with the key target EGFR,and the binding energy of the three compounds was less than-5kcal·mol-1.Cell viability testing experiments show that luteolin,licorice chalcone A,and spatholobi extract have inhibitory effects on human lung cancer A549 cells.Western blot results showed that luteolin,licorice chalcone A,and spatholobi extract can induce apoptosis by increasing the expression of pro-apoptotic factors caspase-3and Bax.Conclusion: Spatholobus spatholobi extract and its compounds can play an antitumor effect by regulating the apoptosis pathway.In this experiment,spatholobi extract,luteolin,and licorice chalcone A can all play a certain anti-tumor effect.Among them,licorice chalcone A has the best anti-tumor effect.In this study,new technologies and methods of network pharmacology and molecular docking were applied to the study of the anti-tumor mechanism of traditional Chinese medicine Caulis spatholobi,providing scientific basis for its better clinical application,and laying a certain foundation for the development of its active ingredients into new drugs..