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Mechanism of Anti-tumor Effects of Viola Medicinal Materials Based on Network pharmacology and Molecular Docking

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Medicinal Plant 2024年第3期15卷 9-15页

作者： Xiaoyong HE Liniu SHAMA Dongmei SHA Shuaicong NI Jing WEN Xinjia YAN Yuan LIU College of Pharmacy Southwest Minzu UniversityChengdu 610041China Sichuan Provincial Qiang-Yi Medicinal Resources Protection and Utilization Technology Engineering Laboratory Chengdu 610225China Tibetan Plateau Ethnic Medicinal Resources Protection and Utilization Key Laboratory of National Ethnic Affairs Commission of the People s Republic of China Chengdu 610225China School of Pharmacy Sichuan College of Traditional Chinese MedicineMianyang 621000China

[Objectives]To explore the relationship between anti-tumor components,targets,and pathways involved in Viola medicinal materials,study its main active components,and evaluate its inhibitory activity.[Methods]Through network pharmacological analysis,molecular docking simulation experiments and in vitro experiments,the main components and corresponding targets of Viola were screened out,and their anti-tumor signaling pathways were confirmed.MTT colorimetric assay was used to investigate the inhibitory effect of different extraction layers of Viola on the growth of tumor cells.[Results]18 anti-tumor active components such as 2α,19α-Dihydroxyursolic acid,Corlumine,Madolin U,Trifolirhizin and etc.,and 52 action targets such as PTGS2,PTGS1,P2RX7,MMP1,and GABRB3,and anti-tumor signaling pathways were confirmed.The results of molecular docking showed that all the selected Viola compounds had good binding activity.The results of MTT colorimetric assay showed that the petroleum ether layer and n-butanol layer had a good inhibitory effect on the growth of tumor cell lines.[Conclusions]Viola medicinal materials have the potential of anti-tumor,triterpenoids and flavonoids may be the main active components,and the petroleum ether layer and n-butanol layer have better inhibitory effect on the growth of tumor cells.

关键词： Viola medicinal materials Anti-tumor Network pharmacology Molecular docking MTT

Using Network pharmacology to Explore Therapeutic Effect of Polygonum capitatum on Renal Calculus in Rats

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Medicinal Plant 2024年第3期15卷 45-49页

作者： Bo TU Xu ZHANG Yan LIN Huang YANG Minghui HE Engineering Research Center of Chronic Disease Prevention and Treatment of Authentic Medicinal Materials in Guizhou Higher Education Institutions School of Pharmaceutical SciencesGuizhou Medical UniversityGuiyang 550025China State Key Laboratory of Functions and Applications of Medicinal Plants Guizhou Medical UniversityGuiyang 550004China

[Objectives]To explore the therapeutic effect of Polygonum capitatum on renal calculus in rats based on network pharmacology.[Methods]Through the preliminary construction of P.capitatum-urolithiasis disease target network,explore the active components,action pathway and action target of P.capitatum-urolithiasis treatment,and use 1%ethylene glycol+2%ammonium chloride to induce SD rat kidney calcium oxalate stone model to verify the efficacy of P.capitatum-urolithiasis treatment.[Results]Through the network pharmacological prediction,it is found that the important active components in P.capitatum were quercetin,gallic acid,rutin,silybin,catechin,kaempferol and so on;potential active targets include INS,CAT,IL-6,MOCOS,etc.The results also suggest that forkhead transcription factor signaling pathway(FoxO signaling pathway),tumor necrosis factor signaling pathway(TNF signaling pathway)and hypoxia-inducible factor signaling pathway(HIF-1 signaling pathway)are the core pathways.The results of biochemical indicators in animal experiment showed that the contents of serum urea nitrogen(BUN),creatinine(Cr)and malondialdehyde(MDA)in renal tissue in the treatment group(200,500 mg/kg)were significantly lower than those in the model group,while the content of superoxide dismutase(SOD)was significantly higher than that in the model group.In addition,the kidney tissue H&E staining sections showed that P.capitatum alcohol extract administration group rats kidney calcium oxalate crystals were significantly reduced compared with the model group,the degree of renal tubular lumen expansion was lighter than the model group,suggesting that P.capitatum alcohol extract has the effect of improving renal calculus in rats.[Conclusions]This study provides a theoretical reference for the deep development of P.capitatum in the treatment of renal calculus.

关键词： Polygonum capitatum Urolithiasis Network pharmacology

Exploring the Mechanism of Action of Glyasperin A in Intervening Menopause Based on Network pharmacology and Molecular Docking Technology

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Medicinal Plant 2024年第3期15卷 4-8页

作者： Na LI Shunhuan CHEN Xiang PU Yihui CHAI Yuqi YANG Lailai LI Guizhou University of Traditional Chinese Medicine Guiyang 550025China

[Objectives]To investigate the mechanism of action of glyasperin A(GAA)in intervening menopause using network pharmacology and molecular docking technology.[Methods]All target names of the active ingredients were screened using TCMSP,3D model molecules converted into SMILES online tool,Swiss target prediction and literature search.The relevant target genes corresponding to menopause were identified using the Genecards database.Venn 2.1.0 was then used to generate the corresponding Venn diagram.Finally,the protein-protein interaction(PPI)network was constructed using Cytoscape 3.9.1 software.The core targets that were screened underwent enrichment and analysis using the Gene Ontology(GO)biological process and KEGG pathways with the assistance of the DAVID database and bioinformatics.The molecular docking was then verified using AutoDock and Pymol software on the core targets.[Results]This study screened 100 target genes of active ingredients.In the PPI network,ESR1 and AKT1 were found to have a higher degree.The GO and KEGG enrichment analyses revealed that the biological processes primarily involved platelet activation,regulation of circadian rhythms,and regulation of mRNA stability.The signalling pathways included hepatitis B,cytotoxicity,and gastric cancer.The molecular docking results indicated that the key active ingredients and proteins bound well,as evidenced by their small binding energies.[Conclusions]Using a systematic network pharmacology approach,this study predicts the basic pharmacological effects and potential mechanisms of GAA in intervening menopause,which provides a foundation for further research on its pharmacological mechanisms.

关键词： Network pharmacology Molecular docking Menopause Glyasperin A

Therapeutic effect of osthole on hyperlipidemic fatty liver in rats

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Acta Pharmacologica Sinica 2007年第3期28卷 398-403页

作者： Yan ZHANG Mei-lin XIE~2 Lu-jia ZHU Zhen-lun GU Department of pharmacology,Medical School of Soochow University Suzhou 215123,China Department of pharmacology Medical School of Soochow University Suzhou China

Aim:To study the effects of osthole on hyperlipidemic fatty liver and investigatethe possible mechanisms.Methods:A rat model with hyperlipidemic fatty liverwas successfully established by feeding fatty milk for 6 weeks.The experimentalrats were then treated with 5-20 mg/kg osthole for 6 weeks.The mouse hyperlipi-demic model was induced by feeding fatty milk when they were treated with 10-20mg/kg osthole for 3 weeks.Results:After treatment with osthole,the levels of ratserum total cholesterol(TC),triglyceride(TG)and low density lipoprotein-choles-terol significantly decreased as compared with the fatty liver model group(P<0.05or P<0.01).Hepatic weight and its coefficient,the hepatic tissue contents of TC,TG,and malondialdehyde,also significantly decreased(P<0.05 or P<0.01).Infatty milk-induced hyperlipidemic mice,the post-heparin plasma activities of lipo-protein lipase(LPL),hepatic lipase(HL),and total lipase(TL)significantlyincreased after treatment with 10-20 mg/kg osthole for 3 weeks(P<0.05 or P<0.01).Importantly,the histological evaluation of rat liver demonstrated that ostholedramatically decreased lipid accumulation(P<0.01).Conclusion:Osthole wasfound to have therapeutic effects on fatty milk-induced rat fatty liver;the mecha-nisms might be associated with its anti-oxidation and the elevation of the activi-ties of LPL and HL.

关键词： osthole hyperlipidemic fatty liver pharmacology

Therapeutic Application,Phytoactives and pharmacology of Tinospora cordifolia:An Evocative Review

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Chinese Journal of Integrative Medicine 2023年第6期29卷 549-555页

作者： Rabiya Ahsan Anuradha Mishra Badruddeen Badar Mohammad Owais Vijayshwari Mishra Research Scholar Faculty of PharmacyIntegral UniversityLucknowUP226022India Department of pharmacology Amity Institute of PharmacyLucknowAmity University Uttar PradeshSector 125Noida201313India Research Scholar Rameshwaram Institute of TechnologyLucknowIndia

Tinospora cordifolia(Guduchi or Gurjo),a herbaceous vine or climbing deciduous shrub,is consider as an important medicine in the Ayurvedic system of medication,which is available in India,China,Myanmar,Bangladesh and Srilanka.Menispermaceae is the family of this compound.T.cordifolia have a variety of properties to treat various ailments such as fevers,jaundice,diabetes,dysentery,urinary infections,and skin diseases.This compound has been subjected to many chemicals,pharmacological,pre-clinical,or clinical investigations and some new therapeutic potential effects have been indicated.This review aims to summarize the critical information concerning in areas of chemical constituents,chemical structure,and pharmacokinetic activities such as anti-diabetic,anticancer,immune-modulatory,antivirus(especially in silico study about COVID-19),antioxidant,antimicrobial,hepatoprotective and its effect on cardiovascular and neurological disorders as well as rheumatoid arthritis.This traditional herb needs more experimental study on the clinical,pre-clinical study,and clinical efficacy of these compounds for the prevention and treatment of COVID-19 and needs large-scale clinical studies to prove the clinical efficacy of this compound,especially in stress-related diseases and other neuronal disorders.

关键词： Tinospora cordifolia Guduchi menispermaceae pharmacology

Traditional Uses,Phytochemistry,pharmacology and Toxicology of Rhizoma phragmitis:A Narrative Review

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Chinese Journal of Integrative Medicine 2022年第12期28卷 1127-1136页

作者： REN Yuan CUI Ge-dan HE Li-sha YAO Huan ZI Chang-yan GAO Yong-xiang Department of Rheumatology Hospital of Chengdu University of Traditional Chinese MedicineChengdu 610072China School of Basic Medicine Chengdu University of Traditional Chinese MedicineChengdu 611130China International Education College Chengdu University of Traditional Chinese MedicineChengdu 610075China

Rhizomaphragmitis isa common Chinese herbal medicine whose effects are defined as'clearing heat and fire,promoting fluid production to quench thirst,eliminating irritability,stopping vomiting,and disinhibiting urine.During the Novel Coronavirus epidemic in 2020,the Weijing Decoction and Wuye Lugen Decoction,with Rhizoma phragmitis as the main herbal component,were included in The Pneumonia Treatment Protocol for Novel Coronavirus Infection(Trial Version 5)due to remarkable antiviral effects.Modern pharmacological studies have shown that Rhizoma phragmitis has antiviral,antioxidative,anti-inflammatory,analgesic,and hypoglycemic functions,lowers blood lipids and protects the liver and kidney.This review aims to provide a systematic summary of the botany,traditional applications,phytochemistry,pharmacology and toxicology of Rhizoma phragmitis.

关键词： Rhizoma phragmitis pharmacology phytochemistry Chinese medicine

Anti-tumor pharmacology of natural products targeting mitosis

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Cancer Biology & Medicine 2022年第6期19卷 774-801页

作者： Manru Huang Caiyan Liu Yingying Shao Shiyue Zhou Gaoyong Hu Shuangshuang Yin Weiling Pu Haiyang Yu Key Laboratory of pharmacology of Traditional Chinese Medical Formulae Ministry of EducationTianjin University of Traditional Chinese MedicineTianjin 301617China State Key Laboratory of Component-based Chinese Medicine Tianjin University of Traditional Chinese MedicineTianjin 301617China

Cancer has been an insurmountable problem in the history of medical science.The uncontrollable proliferation of cancer cells is one of cancers main characteristics,which is closely associated with abn ormal mitosis.Targeting mitosis is an effective method for cancer treatment.This review summarizes several natural products with anti-tumor effects related to mitosis,focusing on targeting microtubulin,inducing DNA damage,and modulating mitosis-associated kinases.Furthermore,the main disadvantages of several typical compounds,including drug resistance,toxicity to non-tumor tissues,and poor aqueous solubility and pharmacokinetic properties,are also discussed,together with strategies to address them.Improved understanding of cancer cell mitosis and natural products may pave the way to drug development for the treatment of cancer.

关键词： Tumor mitosis natural products mechanism pharmacology

Anti-inflammatory mechanism of rhein in treating asthma based on network pharmacology

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Journal of Traditional Chinese Medicine 2022年第2期42卷 296-303页

作者： FENG Junfang CHEN Ou WANG Yibiao Department of Pediatrics the Second HospitalCheeloo College of MedicineShandong UniversityJinan 250033China School of Nursing Cheeloo College of MedicineShandong UniversityJinan 250012China

OBJECTIVE:To predict the anti-inflammatory targets and related pathways of rhein in the treatment of asthma by using network pharmacology,and to further explore its potential mechanism in asthma.METHODS:The corresponding targets of rhein were obtained from the Traditional Chinese Medicine Systems pharmacology Database and Analysis Platform(TCMSP),and the rhein-target network was constructed with Cytoscape 3.7.1 software.The Genbank and Drugbank databases were used to collect and screen asthma targets,and the rhein-target-disease interaction network was constructed.A target protein-protein interaction(PPI)network was constructed using the STRING database to screen key targets.Finally,Kyoto Encyclopedia of Genes and Genomes(KEGG)enrichment analysis was used to identify biological processes and signaling pathways.The anti-asthmatic effects of rhein were tested in vitro,and the expression levels of proteins in the mitogen-activated protein kinase/nuclear factor kappa-B(MAPK/NF-κB)signaling pathway were assessed by western blot analysis.RESULTS:Altogether,83 targets of rhein were screened in the relevant databases,989 targets of asthma were obtained in the National Center for Biotechnology Information(NCBI)GENE Database.PPI network analysis and KEGG pathway enrichment analysis predicted that rhein could regulate the epidermal active growth factor receptor(EGFR),mitogen-activated protein kinase 14(MAPK14),tumour necrosis factor receptor superfamily member 1A(TNFRSF1A),receptor tyrosineprotein kinase erb B-2(ERBB2),and other signaling pathways.Furthermore,we selected the MAPK signaling pathway to determine the anti-inflammatory effects of rhein.Consistently,further in vitro experiments demonstrated that rhein was shown to inhibit HBE cells inflammation.CONCLUSION:The anti-inflammatory mechanism of rhein in the treatment of asthma may be related to EGFR,MAPK14,TNFRSF1A and ERBB2 as well as their signaling pathways.To prevent the exacerbation of asthma,instead of targeting a single pathway or a single target,all these tar

关键词： asthma rhein anti-inflammatory agents pharmacology drug development

Peperomia pellucida(L.) Kunth and eye diseases: A review on phytochemistry, pharmacology and toxicology

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Journal of Integrative Medicine 2022年第4期20卷 292-304页

作者： Keat Lam Ho Phaik Har Yong Chee Woon Wang Umah Rani Kuppusamy Chek Tung Ngo Festo Massawe Zhi Xiang Ng School of Biosciences Faculty of Science and EngineeringUniversity of Nottingham Malaysia43500 SelangorMalaysia School of Bioscience Faculty of MedicineBioscience and NursingMAHSA University42610 SelangorMalaysia Department of Biochemistry Faculty of MedicineBioscience and NursingMAHSA University42610 SelangorMalaysia Department of Biomedical Science Faculty of MedicineUniversity of Malaya50603 Kuala LumpurMalaysia Optimax Sunway Eye Specialist Centre Bandar Sunway46150 SelangorMalaysia

Peperomia pellucida(L.) Kunth is a medicinal plant used to manage inflammatory illnesses such as conjunctivitis, and gastrointestinal and respiratory tract disorders in tropical and subtropical regions.However, little is known about its pharmacological mechanism of action against eye diseases. This review aims to critically discuss the phytochemistry, pharmacology and toxicology of P. pellucida as well as its roles in the treatment of cataract, glaucoma and diabetic retinopathy. Recent developments in the uses of P. pellucida for healthcare and nutraceutical products by the pharmaceutical industry are also covered in this review. For this review, a literature search was performed with PubMed, ScienceDirect, SciFinder Scholar and Scopus databases, using relevant keywords. Among the various phytochemicals identified from P. pellucida, β-caryophyllene, carotol, dillapiole, ellagic acid, pellucidin A, phytol and vitexin exhibit strong pharmacological activities within the mitogen-activated protein kinase and nuclear factor-κB signalling pathways in inflammatory eye diseases. The antihypertensive, anti-inflammatory, antioxidant,antihyperglycemic and anti-angiogenic activities displayed by P. pellucida extracts in many in vitro,in vivo and clinical studies suggest its potential role in the management of inflammatory eye diseases.P. pellucida extract was non-toxic against normal cell lines but displayed mild toxicity in animal models.The growing public interest in P. pellucida has inspired the nutraceutical and pharmaceutical industries to process the plant into health products. Although the potential pharmacological mechanisms against eye diseases have been summarized, further studies of the interactions among constituent phytochemicals from P. pellucida within various signalling pathways shall support the use of the plant as an alternative therapeutic source.

关键词： Peperomia pellucida Phytochemistry pharmacology Toxicology Cataract Diabetic retinopathy Glaucoma