1.Bioinformatics Analysis of Modified Lugen Formula in the Treatment of Influenza:Perspectives from the Virus-Host Interaction Network
Peng WU ; Yong JIANG ; Sha LI ; Wenyu WU ; Lichun JI ; Haidu HONG ; Gao ZHANG ; Huiting HUANG ; Xiaohong LIU ; Shaofeng ZHAN ; Yanni LAI
Traditional Chinese Drug Research & Clinical Pharmacology 2024;35(3):358-367
Objective To explore the therapeutic mechanism of Modified Lugen Formula(Phragmitis Rhizoma,Cicadae Periostracum,Batryticatus Bombyx,Lonicerae Japonicae Flos,Glycyrrhiza,Menthae Haplocalycis Herba,Notopterygii Rhizoma et Radix,Puerariae Lobatae Radix,Bupleuri Radix)in treating influenza from the virus-host interaction interface.Methods The phytocompounds were first collected from the HERB database,and then potential active compounds were screened out by Lipinski's rules of five.The targets of active compounds were further predicted through the SwissTargetPrediction platform.Differentially expressed genes(DEGs)were determined from the human H1N1 influenza dataset GSE90732 available in the Gene Expression Omnibus database(GEO).H1N1-Homo sapiens-related protein-protein interactions(PPIs)were gathered from the Pathogen-Host Interaction Search Tool(PHISTO).The above mentioned bioinformatic datasets were integrated.Then a PPI network and a Formula-virus-host interaction network were constructed using Cytoscape.Functional enrichment analyses were performed by using R software.Finally,molecular docking was carried out to evaluate the binding activities between the key compounds and targets.Results A total of 1 252 active compounds,1 415 targets,951 influenza-related DEGs,and 10 142 H1N1-Homo sapiens-related PPIs were obtained.There were 72 intersection targets between the Modified Lugen Formula and influenza.Functional enrichment analyses showed that these targets are closely related to host defense and programmed cell death.The network topological analysis showed that active compounds in the Modified Lugen Formula,such as oleanolic acid,γ-undecalactone,and longispinogenin,regulate viral proteins M2,NA,NS1,and HA and/or the host factors HSP90AA1,NRAS,and ITGB1,thus exert therapeutic effect.Molecular docking results confirmed that these compounds had a good binding ability with the targets.Conclusion Multiple active ingredients in Modified Lugen Formula directly target influenza virus proteins and/or host factors,thereby play an anti-influenza role in multiple dimensions,including inhibiting virus replication,regulating host defense and cell death.This study provides a theoretical basis for further experimental analysis of the action mechanism of the Modified Lugen Formula in treating influenza.
2.Analysis of the Rules of Pulmonary Nodule Prescriptions Based on TCMISS
Chengxin LIU ; Haidu HONG ; Peng WU ; Miaoxuan SHI ; Shaofeng ZHAN ; Xiaohong LIU
China Pharmacy 2020;31(8):975-979
OBJECTIVE:To provide reference for improving TCM treatment of pulmonary nodule. METHODS :The experience of famous TCM doctors in the TCM treatment of pulmonary nodule was searched by computer ,the formulations of the cases were sorted out ,and the data were recorded into the TCMISS V 2.5 for data analysis ,and the medicine frequency was counted. Apriori algorithm and association rules were used for statistical analysis of core combination of formulations (support degree was 16,confidence degree was 0.65). Inner core combination and new combination were extracted according to the entropy clustering method of complex system (correlation was 6,penalty was 2). RESULTS :A total of 25 literatures were input ,including 64 formulations in total ,166 medicinal materials. For the prescriptions of pulmonary nodule ,the frequency of single ingredient from high to low was Bolbostemma paniculatum ,Glycyrrhiza uralensis ,Astragalus membranaceus ,Prunella vulgaris ,Ostrea gigas,Angelica sinensis ,Pinellia ternate ,Ligusticum chuanxiong ,Mori Corlex ,etc. The main compatibility of the drug model is to invigorate Qi ,dissipate phlegm ,invigorate Qi and activate blood circulation ,and promote Qi and softness ,such as “G. uralensis,B. paniculatum ”“A. membranaceus ,B. paniculatum ”“A. membranaceus ,G. uralensis ”,etc;10 core combinations of the drug were found out , such as Begonia fimbristipula-Rhodiola rosea-Bupleurum Chinense , Cervus elaphus Clematis chinensis-Buffalo Horn,etc. There were 5 new prescriptions ,i.e. B. fimbristipula-R. rosea-B. chinense-Setaria italic ,C. elaphus-C. chinensis-Buffalo Horn-French chalk ,A. sinensis-L. chuanxiong-Morus alba- Mori Corlex -P. vulgaris-Ganoderma lucidum ,Hedyotis diffusa-Prunus persica-Trichosanthes kirilowii-Achyranthes bidentata-Eupolyphaga sinensis- Cinnamomi Ramulus ,A. bidentata-E. sinensis-Ephedra sinica-Curcuma aromatica-Curcuma longa-Concretio silicea . CONCLUSIONS :Most modern doctors believe that the interaction of phlegm and blood stasis is the main pathogenesis of pulmonary nodule ,and the treatment is mainly based on the treatment of lung ,spleen,liver and kidney ,focus on the elimination of symptoms and phlegm ,the elimination of blood stasis and the soft and hard treatment ,pay attention to the weak body of the patient. TCM treatment of pulmonary nodule has a good prospect.
3.Mining and Analysis of the Formulation Rules of Chinese Patent Medicine for Cold Based on 2015 Edition of Chinese Pharmacopeia(Part Ⅰ)
Haidu HONG ; Chengxin LIU ; Yu HONG ; Huiting HUANG ; Dongting LI ; Yue PAN ; Si CHEN ; Chuangrong CHEN ; Xiaohong LIU
China Pharmacy 2019;30(13):1812-1816
OBJECTIVE: To mine and analyze the formulation rules of Chinese patent medicine for cold, and to provide reference for clinical dialectical medication and R&D of new medicine for cold. METHODS: The name, dosage form, formulation, function of curing of Chinese patent medicines for cold were collected from 2015 edition of Chinese Pharmacopeia (part Ⅰ) and then input into TCM Inheritance Assistant Platform V 2.5; use frequency of TCM were counted. Apriori algorithm and association rules were used to analyze the core medicinal material combination (10% support and 0.65 confidence). New formulation combinations were extracted by unsupervised entropy hierarchical clustering method. RESULTS: A total of 130 kinds of Chinese patent medicine (196 Chinese patent medicine with the same prescription and different dosage forms) for treating cold were collected, including granules (47), pills (32), tablets (31), mixtures (31), etc. 264 medicinal materials were involved. The cold syndromes contained wind-heat syndrome, wind-cold syndrome, summer-dampness syndrome and Qi deficiency syndrome. Top 3 medicinal materials in the list of use frequency were Glycyrrhiza uralensis (45.38%), Scutellaria baicalensis (32.31%) and Platycodon grandiflorus (31.54%). There were 28 core medicinal material combinations, among which the top 3 were G. uralensis-P. grandiflorus, Mentha haplocalyx-P. grandiflorus and S. baicalensis-Forsythia suspensa. New combinations were excavated, including Nepeta cataria-P. grandiflorus-M. haplocalyx-Citrus reticulate-Folium Perillae-Citrus aurantium- Poria cocos, F. suspense-S. baicalensis-Lonicera japonica- Arctium lappa-Fermented soybean. CONCLUSIONS: This study analyzed the formulation rules of Chinese patent medicine for treating cold by using the TCM inheritance assistant platform V2.5, which can provide reference for clinical dialectical medication and R&D of new medicines for cold.