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systems pharmacology Uncovers Multiple Mechanisms of Erxian Decoction (二仙汤) for Treatment of Premature Ovarian Failure

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Chinese Journal of Integrative Medicine 2020年第2期26卷 106-113页

作者： DU Bo LIU Li-hong LV Yu-juan AI Hao Key laboratory of Follicular Development and Reproductive Health of Liaoning Provinee Jinzhou Medical UniversityJinzhouLiaoning Province(121000)China Department of Gyn ecology and Obstetrics Third Affiliated Hospital of Jin zhou Medical UniversityJinzhouLiaoning Province(121000)China

Objective:To predict the chemical compositions and drug targets and to systematically dissect the pharmacological mechanism of Erxian Decoction(二仙汤,EXD)as a treatment for premature ovarian failure(POF)using a systems pharmacology ***:The compounds present in EXD were obtained from three *** active ingredient was identified by analyzing the values of oral bioavailability(OB),drug-like ness(DL),and Lipin ski's rule(LR).The active in gredients were further searched in research articles,drug targets in the DrugBank database,and the C-T and T-P networks,as well as by pathway analysis using the Cytoscape ***:A total of 728 compounds were identified in *** these,59 were identified as active compounds that conformed to the criteria with OB>30%and DL>*** further searches in the literature,126 related targets were ide ntified that could in teract with the active *** on ally,it was found that the beneficial effects of EXD in POF are probably exerted via regulation of the immline system,modulation of estrogen levels,and anti-oxidative activities,and that it may act in a synergistic or cooperative manner with other therapeutic ***:The systems pharmacology approach is a comprehensive system that was used to elucidate the pharmacological mechanism of EXD as a treatment for *** results of this study will also facilitate the application of traditional medicine in modern treatment strategies.

关键词： premature ovarian failure Chinese medicine Erxian Decoction systems pharmacology pharmacological mechanism

systems pharmacology for traditional Chinese medicine with application to cardio-cerebrovascular diseases

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Journal of Traditional Chinese Medical Sciences 2014年第2期1卷 84-91页

作者： Yingxue Fu Yonghua Wang Boli Zhang Lab of systems pharmacology Center of BioinformaticsCollege of Life ScienceNorthwest A&F UniversityYangling 712100China Tianjin University of Traditional Chinese Medicine Tianjin 210029China

Identified as a treasure of natural herbal products,traditional Chinese medicine(TCM)has attracted extensive attention for their moderate treatment effect and lower side ***-cerebrovascular diseases(CCVD)are a leading cause of *** is used in China to prevent and treat ***,the complexity of TCM poses challenges in understanding the mechanisms of herbs at a systems-level,thus hampering the modernization and globalization of TCM.A novel model,termed traditional Chinese medicine systems pharmacology(TCMSP)analysis platform,which relies on the theory of systems pharmacology and integrates absorption,distribution,metabolism,excretion and toxicity(ADME/T)evaluation,target prediction and network/pathway analysis,was proposed to address these ***,we review the development of systems pharmacology,the TCMSP approach and its applications in the investigations of CCVD and compare it with other *** assists in uncovering the mechanisms of action of herbal formulas used in treating *** can also be applied in ascertaining the different syndrome patterns of coronary artery disease,decoding the multi-scale mechanisms of herbs,and in understanding the mechanisms of herbal synergism.

关键词： systems pharmacology Traditional Chinese medicine Cardiovascular and cerebrovascular diseases systems biology

Investigation multi-target synergistic mechanism of Choerospondias axillaris in the treat of cerebral ischemia based on systems pharmacology and experimental verification

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Natural Therapy Advances 2024年第3期7卷 37-47页

作者： Yang Ma Min-Chun Chen Zuo-Yan Zhang Kang-Kang Yan Yi Ding Department of Pharmacy Xi'an No.3 Hospital the affiliated Hospital of Northwest UniversityXi’an 710000China Department of Pharmacy Xijing HospitalFourth Military Medical UniversityXi’an 71000China

Background:Choerospondias axillaris(CA)is a traditional Mongolian medicine that has been proven to have a good therapeutic effect on cerebrovascular *** Ischemia(CI)is a severe and life-threatening cerebrovascular ***,the specific mechanism of action of CA in the treatment of CI is still ***:In this study,the related targets and pathways of CA in the treatment of CI were first predicted by system pharmacology and then verified by relevant ***:The results showed that 12 active ingredients and 208 targets were *** validation through protein-protein interaction(PPI)network analysis and active ingredients-target-pathway(A-T-P)network analysis has confirmed the pivotal roles of the main bioactive constituents,including quercetin,kaempferol,naringin,β-sitosterol,and gallic *** components exert their anti-ischemic effects by modulating key targets such as IL6,TNF,MAPK3,and CASP3,thereby regulating the PI3K-Akt,HIF-1,and MAPK signaling pathways,which are integral to processes like inflammation,apoptosis,and oxidative *** importantly,through experimental verification,this study confirmed our prediction that CAE significantly reduced neurological function scores,infarct volume,and the percentage of apoptosis ***:This indicates that CA acts on CI through multi-target synergistic mechanism,and this study provides theoretical basis for the clinical application of CA.

关键词： systems pharmacology Choerospondias axillaris cerebral ischemia multi-target synergistic mechanism middle cerebral artery occlusion

Uncovering the multi-target pharmacological mechanism of Xuebijing injection against sepsis by a systems pharmacology approach

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TMR Modern Herbal Medicine 2021年第1期4卷 63-78页

作者： Ping Wang Jingjing Zhu Jie Zhai Xiaorui Li Hongcai Shang Jianxun Wang School of Life Sciences Beijing University of Chinese MedicineBeijing 100029China Key Laboratory of Chinese Internal Medicine of Ministry of Education and Beijing Dongzhimen HospitalBeijing University of Chinese MedicineBeijing 100700China

Sepsis is a life-threatening organ dysfunction that is associated with a high risk of ***(XBJ)injection,a Chinese herbal compound preparation,has been widely used for the treatment of sepsis in *** purpose of this research is to decipher the underlying multi-target pharmacological mechanism of XBJ in the treatment of sepsis using a systems pharmacology *** in XBJ were collected by literature *** corresponding putative targets of XBJ were screened from the Traditional Chinese Medicine systems pharmacology(TCMSP),Swiss Target Prediction(STP),and Search Tool for Interacting Chemicals(STITCH)***-related targets were summarized using the Genecards,DrugBank,and Online Mendelian Inheritance in Man(OMIM)*** intersection targets were obtained with Venny ***,protein-protein interaction(PPI)networks were constructed with the STRING database and Cytoscape ***,degree,betweenness,and closeness were calculated to recognize the core targets in the PPI ***,the pharmacological mechanism of XBJ against sepsis was predicted via gene ontology(GO)and Kyoto Encyclopedia of Genes and Genomes(KEGG)*** the literature review,the 33 most commonly cited chemical ingredients,were screened out as major *** analysis revealed that the major compounds of XBJ modulated 218 common targets associated with *** PPI network analysis,41 genes,including IL-6,AKT1,STAT3,TP53,and MAPK1,were identified as core *** results of GO and KEGG enrichment revealed that the potential biological functions of XBJ against sepsis were mainly involved in cytokine receptor binding,cytokine activity,growth factor receptor binding,growth factor activity,and chemokine *** crucial pathways were closely associated with initial immune activation(CLR/TLR4-NF-κB/MAPK pathway),the acute inflammatory response(TNFMAPK/caspase and IL-MAPK/STAT pathways),and the late inflammation

关键词： Xuebijing Sepsis Multi-target Mechanism systems pharmacology

Screening and analysis of key active constituents in Guanxinshutong capsule using mass spectrum and integrative network pharmacology

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Chinese Journal of Natural Medicines 2018年第4期16卷 302-312页

作者： LIU Feng DU Xia LIU Pei-Rong SUN Yu-Hong ZHANG Yan-Min School of Pharmacy Health Science CenterXi'an Jiaotong UniversityXi'an 710061China Shaanxi Institute of lnternational Trade&Commence Xianyang 712046China Shaanxi Buchang Pharmaceutical Co.Ltd Xi'an 710075China Shannxi Academy of Traditionnal Chinese Medicine Xi'an 710003China School of Life Sciences Northwest UniversityXi'an 710069China

Guanxinshutong capsule(GXSTC) is an effective and safe traditional Chinese medicine used in the treatment of cardiovascular diseases(CVDs) for many years. However, the targets of this herbal formula and the underlying molecular mechanisms of action involved in the treatment of CVDs are still unclear. In the present study, we used a systems pharmacology approach to identify the active ingredients of GXSTC and their corresponding targets in the calcium signaling pathway with respect to the treatment of CVDs. This method integrated chromatographic techniques, prediction of absorption, distribution, metabolism, and excretion, analysis using Kyoto Encyclopedia of Genes and Genomes, network construction, and pharmacological experiments. 12 active compounds and 33 targets were found to have a role in the treatment of CVDs, and four main active ingredients, including protocatechuic acid, cryptotanshinone, eugenol, and borneol were selected to verify the effect of(GXSTC) on calcium signaling system in cardiomyocyte injury induced by hypoxia and reoxygenation. The results from the present study revealed the active components and targets of GXSTC in the treatment of CVDs, providing a new perspective to enhance the understanding of the role of the calcium signaling pathway in the therapeutic effect of GXSTC.

关键词： Mass spectrum systems pharmacology Guanxinshutong capsule Cardiovascular diseases Calcium signaling pathway

NOGEA: A Network-oriented Gene Entropy Approach for Dissecting Disease Comorbidity and Drug Repositioning

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Genomics, Proteomics & Bioinformatics 2021年第4期19卷 549-564页

作者： Zihu Guo Yingxue Fu Chao Huang Chunli Zheng Ziyin Wu Xuetong Chen Shuo Gao Yaohua Ma Mohamed Shahen Yan Li Pengfei Tu Jingbo Zhu Zhenzhong Wang Wei Xiao Yonghua Wang College of Life Science Northwest UniversityXi'an 710069China College of Life Science Northwest A&F UniversityYangling 712100China Zoology Department Faculty of ScienceTanta UniversityTanta 31527Egypt Key Laboratory of Industrial Ecology and Environmental Engineering(Ministry of Education) Faculty of ChemicalEnvironmental and Biological Science and TechnologyDalian University of TechnologyDalian 116024China State Key Laboratory of Natural and Biomimetic Drugs School of Pharmaceutical SciencesPeking UniversityBeijing 100191China School of Food Science and Technology Dalian Polytechnic UniversityDalian 116034China State Key Laboratory of New-tech for Chinese Medicine Pharmaceutical Process Lianyungang 222001China

Rapid development of high-throughput technologies has permitted the identification of an increasing number of disease-associated genes(DAGs),which are important for understanding disease initiation and developing precision ***,DAGs often contain large amounts of redundant or false positive information,leading to difficulties in quantifying and prioritizing potential relationships between these DAGs and human *** this study,a networkoriented gene entropy approach(NOGEA)is proposed for accurately inferring master genes that contribute to specific diseases by quantitatively calculating their perturbation abilities on directed disease-specific gene *** addition,we confirmed that the master genes identified by NOGEA have a high reliability for predicting disease-specific initiation events and progression *** genes may also be used to extract the underlying information of different diseases,thus revealing mechanisms of disease *** importantly,approved therapeutic targets are topologically localized in a small neighborhood of master genes in the interactome network,which provides a new way for predicting drug-disease *** this method,11 old drugs were newly identified and predicted to be effective for treating pancreatic cancer and then validated by in vitro ***,the NOGEA was useful for identifying master genes that control disease initiation and co-occurrence,thus providing a valuable strategy for drug efficacy screening and *** codes are publicly available at https://***/guozihuaa/NOGEA.

关键词： systems pharmacology Gene entropy Disease gene network Disease comorbidity Drug repositioning

Network pharmacology-based approach to understand the effect and mechanism of Tangzhiqing against atherosclerosis

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Natural Therapy Advances 2024年第4期7卷 13-20页

作者： Sen-Qi Yang Wan-Ying Feng Zhi-Hui Song Xin-Ya Ding Rui Chen Yi Wang School of Traditional Chinese Medicine Tianjin University of Traditional Chinese MedicineTianjin 300193China Institute of Traditional Chinese medicine Tianjin University of Traditional Chinese MedicineTianjin 300193China

Background:Tangzhiqing formula(TZQ)has powerful pharmacological effects on diabetes and ***,according to current studies,the action and molecular mechanisms of TZQ for the treatment of atherosclerosis are not fully ***:In this study,we employed a network pharmacology approach that integrates target prediction,network construction,Gene Ontology(GO)analysis,Kyoto Encyclopedia of Genes and Genomes(KEGG)pathway enrichment analysis,and molecular *** comprehensive methodology was used to predict the potential targets of TZQ in the treatment of atherosclerosis(AS)and to further elucidate the pharmacological mechanisms ***:The targets predicted in this study are all highly involved in the TNF-αsignaling pathway,NOD-like eceptor signaling pathway,apoptotic pathway,***,NCOA1,ESR1,CCND1,EGRF,RELA,and FOS are the core targets of TZQ regulation and play a central role in its anti-AS ***:This study elucidates the mechanisms of TZQ in treating AS,providing a theoretical foundation for future research.

关键词： Tangzhiqing(TZQ) atherosclerosis systems pharmacology docking

Exploring the compatibility theory of traditional Chinese medicine formulae:the disassembled prescriptions study

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Traditional Medicine Research 2023年第5期8卷 38-43页

作者： Xue Yang Xin-Yuan Luan Department of Medical Oncology Tianjin Medical University General HospitalTianjin 300052China Department of Hepatobiliary and Pancreatic Surgery Tianjin Hospital of ITCWM NanKai HospitalTianjin 300100China

Traditional Chinese medicine(TCM)has become very popular in the treatment of complex diseases worldwide in recent *** the promising performance of TCM,how herbs work synergistically in a formula and their therapeutic targets remain *** largely limits the correct use and modernization of TCM formulas *** study of disassembled prescriptions is important for investigating the compatibility theory of Chinese *** dissecting the mechanisms of TCM formulae,the compatibility principles of some well-known formulae,such as Realgar-Indigo naturalis,have been elucidated to a certain *** this review,several common methods of disassembled prescription studies are summarized,including those of single herb or mineral,sub-prescription,active ingredients or effective parts,large formulae,and systems pharmacology studies,as well as the methods of grouping based on the properties or efficacy of Chinese medicines,in order to provide evidence for formulae ***,some challenges to be addressed in disassembled prescriptions studies have been identified in this review.

关键词： compatibility theory of formulae traditional Chinese medicine disassembled prescriptions study systems pharmacology

systems Pharmacological Approach to Investigate the Mechanism of Hericium erinaceus for Alzheimer’s Disease

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Digital Chinese Medicine 2019年第1期2卷 7-18页

作者： SONG Zhen-Yan CHENG Shao-Wu Institute of Nutritional Sciences Laboratory for Nutrition in Prevention and TherapyJustus-Liebig-University of GiessenBiomedical Research Center Seltersberg (BFS)Giessen 35390Germany The Key Laboratory of Hunan Province far Integrated Traditional Chinese and Western Medicine on Prevention and Treatment of Cardio-Cerebral Diseases Hunan University of Chinese MedicineChangshaHunan 410208China

Objective To confirm evidence regarding the potential therapeutic effect of Hericium erinaceus(***,Hou Tou Gu,猴头菇) on Alzheimer’s disease(AD) using a system pharmacological approach in *** The active compounds of *** were screened from the TCMDatabase@Taiwan,PubMed,and *** predicted targets of *** were selected by using the Similarity Ensemble Approach Database and the DisGeNET database was used to screen the targets related to *** compound-target-AD network was *** analysis and Pathway enrichment analysis were used for bioinformatics *** A total of 21 kinds of *** active compounds were screened by network pharmacology,showing 451 predicted targets of active *** them,165 targets were associated with AD,and the compounds in *** were highly connected to AD-related signaling pathways and biological processes,such as cholinergic synaptic transmission,inflammation-related pathways and neurotrophin signaling *** Our results indicate that compounds in *** interact with multiple targets in a synergetic way and the anti-inflammatory,anti-apoptosis and synaptic transmission enhancing effects of *** might contribute to its major therapeutic effects on Alzheimer’s disease.

关键词： systems pharmacology Hericium erinaceus(Hou Tou Gu,猴头菇) Alzheimer's disease In silico