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Network pharmacology and computational analysis of berberine and kuwanon Z as possible natural antiviral compounds in COVID-19 被引量:1
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作者 Ansari Vikhar Danish Ahmad Qazi Yasar +4 位作者 Subur W Khan Syed Ayaz Ali Ansari Altamash Mohd Mukhtar Khan Nikhil S Sakle pharmacology discovery 2024年第1期31-43,共13页
Background:Global efforts to discover effective therapeutic agents for combating coronavirus disease 19(COVID-19)have intensified the exploration of natural compounds with potential antiviral properties.In this study,... Background:Global efforts to discover effective therapeutic agents for combating coronavirus disease 19(COVID-19)have intensified the exploration of natural compounds with potential antiviral properties.In this study,we utilized network pharmacology and computational analysis to investigate the antiviral effects of Berberine and Kuwanon Z against severe acute respiratory syndrome coronavirus 2,the viruses responsible for COVID-19.Method:Utilizing comprehensive network pharmacology approaches,we elucidated the complex interactions between these compounds and the host biological system,highlighting their multitarget mechanisms.Network pharmacology identifies COVID-19 targets and compounds through integrated protein‒protein interaction and KEGG pathway analyses.Molecular docking simulation studies were performed to assess the binding affinities and structural interactions of Berberine and Kuwanon Z with key viral proteins,shedding light on their potential inhibitory effects on viral replication and entry.Results:Network-based analyses revealed the modulation of crucial pathways involved in the host antiviral response.Compound-target network analysis revealed complex interactions(122 nodes,121 edges),with significant interactions and an average node degree of 1.37.KEGG analysis revealed pathways such as the COVID-19 pathway,chemokines and Jak-sat in COVID-19.Docking studies revealed that Kuwanon Z had binding energies of-10.5 kcal/mol for JAK2 and-8.1 kcal/mol for the main protease.Conclusion:The findings of this study contribute to the understanding of the pharmacological actions of Berberine and Kuwanon Z in the context of COVID-19,providing a basis for further experimental validation.These natural compounds exhibit promise as potential antiviral agents,offering a foundation for the development of novel therapeutic strategies in the ongoing battle against the global pandemic. 展开更多
关键词 COVID-19 kuwanon Z BERBERINE network pharmacology SARS-CoV-2 molecular docking
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Exploring the mechanism of action of herb pair Pinellia Ternata-Magnolia Officinalis in the treatment of liver cancer based on network pharmacology and molecular docking
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作者 Zi-Wei Du Meng-Wei Xu +6 位作者 Rui Peng Min Fang Yan Liu Guang-Shuai Zhang Si Yan Li-Na Yang Shuang-Lin Qin pharmacology discovery 2024年第1期51-65,共15页
Background:Explore the anti-tumor mechanism of herb pair Pinellia ternate-Magnolia officinalis(BX-HP)in liver cancer through network pharmacology using molecular docking methods.Method:The active ingredients and corre... Background:Explore the anti-tumor mechanism of herb pair Pinellia ternate-Magnolia officinalis(BX-HP)in liver cancer through network pharmacology using molecular docking methods.Method:The active ingredients and corresponding targets of the herb pair Pinellia ternate-Magnolia officinalis were obtained from the HERB database.The relevant targets for liver cancer were obtained from GeneCards,DisGeNET,TTD,and Drugbank databases.Obtain common targets between herb pair Pinellia ternate-Magnolia officinalis and liver cancer through the Bioinformatics platform,establish a PPI network diagram using STRING software,and perform GO functional enrichment and KEGG pathway enrichment analysis on the DAVID platform.AutoDockTools 1.5.7 software and molecular dynamics simulation analysis are used to evaluate the binding of components to target proteins.HERB database,SwissTargetPrediction database,SwissADME database,UniProt database,GeneCards database,TTD database,DRUGBANK database,DisGeNET database,String,DAVID.Bioinformatics platform,PDB database,PubChem and TCMSP database.Result:A total of 22 active ingredients with a Probability>0.1 targets in Magnolia officinalis were screened,26 active ingredients with a Probability>0.1 targets in Pinellia ternata,ten vital active ingredients,corresponding to 979 and 803 targets with a Probability>0.1 targets,2536 liver cancer-related targets,and 279 targets in the herb pair Pinellia ternata-Magnolia officinalis.The GO functional enrichment analysis resulted in 1297 entries,namely 971 biological process entries,118 cell localization entries,and 208 molecular function entries.Three signaling pathways were annotated through the KEGG pathway.Based on molecular docking,ten vital active ingredients and five target proteins were validated to exhibit an excellent binding affinity.The above data indicates that combining the herb pair Pinellia ternata-Magnolia officinalis may treat liver cancer through specific targets and signaling pathways.Conclusion:Herb pair Pinellia ternata-Magnolia officinalis has a synergistic effect on treating liver cancer through multicomponent,multitarget,and multi-pathway approaches.This study provides a sufficient theoretical basis for subsequent research. 展开更多
关键词 liver cancer herb pair Pinellia ternata-Magnolia officinalis target prediction network pharmacology molecular docking MECHANISM
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Research progress on the anti-tumor effect of Codonopsis pilosula
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作者 Xing-Lei Yin Ren-Jun Gu Xuan Han pharmacology discovery 2024年第3期22-29,共8页
Currently,the mortality rate of malignant tumors ranks second globally,surpassed only by cardiovascular and cerebrovascular diseases.The treatment of malignant tumors poses a formidable challenge to both modern medici... Currently,the mortality rate of malignant tumors ranks second globally,surpassed only by cardiovascular and cerebrovascular diseases.The treatment of malignant tumors poses a formidable challenge to both modern medicine and traditional Chinese medicine(TCM).To date,TCM has developed a substantial foundational theoretical understanding and accumulated significant clinical experience in combating tumors.According to TCM foundational theories,"Qi deficiency"is a critical symptom associated with cancer,and"fortifying the body's vitality while expelling pathogens"is the cornerstone of TCM's approach to tumor treatment and bodily balance.Codonopsis pilosula(CP),a Qi-invigorating herb,is known to invigorat the spleen,benefit the lungs,nourish the blood,and promote bodily fluids.It is often employed as a substitute for ginseng in clinical settings.Prolonged clinical observations have identified key active constituents of CP,such as Codonopsis polysaccharides,isoimperatorin,saponins,lobetyolin,sesquiterpene lactones,and muscone.These ingredients exhibit various therapeutic properties,including anti-tumor,immunomodulatory,anti-infective,antioxidant,and hematopoiesis-enhancing effects.Additionally,when CP is combined with other TCM herbs like Astragalus and Atractylodes macrocephala,it bolsters the body's vital energy and rejuvenates both Qi and blood.CP can be used in combination with chemotherapy agents to mitigate the adverse effects of radiotherapy and chemotherapy.Moreover,CP demonstrates potential in preventing precancerous lesions.This review summarizes recent research findings on the anti-tumor properties of CP,elucidates the anti-tumor effects and molecular mechanisms of its active components,provides a basis for promoting the utilization of CP resources and its active constituents,and offers insights for the research and development of new anti-tumor drugs. 展开更多
关键词 Codonopsis pilosula ANTI-TUMOR molecular mechanism Codonopsis polysaccharides ISOIMPERATORIN SAPONINS
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Study on the mechanism of SND in the treatment of anxiety disorders based on network pharmacology, molecular docking and experiment validation
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作者 Fei-Yan Wang Ping Yuan +7 位作者 Mei-Ling Zheng Xiao-Di Guo Long Li Jin Wang Shan Miao Ya-Jun Shi Shan-Bo Ma Xiao-Peng Shi pharmacology discovery 2024年第2期10-23,共14页
Background:Sini decoction(SND)is a classic traditional Chinese medicine(TCM)formulation that can be used to treat anxiety-related disorders,but the active substance and underlying molecular mechanism of its anxiolytic... Background:Sini decoction(SND)is a classic traditional Chinese medicine(TCM)formulation that can be used to treat anxiety-related disorders,but the active substance and underlying molecular mechanism of its anxiolytic effects are unknown.In this study,network pharmacology,molecular docking research and experimental verification methods were used to preliminarily explore the bioactive compounds and potential target mechanisms of SND anxiolytic.Methods:The active components and corresponding targets of SND were collected by TCMSP.GeneCards,OMIM,PharmGkb,TTD and Drugbank were used to search for the targets of anxiety disorders.The core target of SND in the treatment of anxiety was screened by PPI.R language was used to analyze the intersection targets of SND in the treatment of anxiety disorders by GO and KEGG enrichment analysis.AutoDock Vina was used for molecular docking,and Discovery Studio was used for visual conformation analysis after docking.The anti-anxiety effect and molecular mechanism of SND were studied by in vivo experiment.Results:Based on network pharmacological analysis,we obtained 112 active ingredients and 350 effective targets related to anxiety from SND.In PPI analysis,26 targets such as STAT3,MAPK3,MAPK1,MAPK14,SRC,HSP90AA1,TP53 and PIK3CA were identified as core targets.GO and KEGG analysis showed that the anxiolytic mechanism of SND may be related to the neuroactive ligand-receptor interaction pathway and inflammatory pathway.Molecular docking showed that quercetin,naringenin,licochalcone A had high affinity with JAK2,MAPK14 and MAPK3.Animal experiments have shown that SND reverses the upregulation of GluN2B(NMDAR)and GluA1(AMPAR)proteins,and SND improves anxiety disorders by regulating glutamate transmitter levels,which may be related to neuroactive ligand-receptor interaction pathways,particularly glutamate receptors.Conclusion:This study shows that SND can improve FS-induced behavioral changes in mice and can modulate hippocampal synapse-associated protein defects,partially reversing glutamate receptor expression through the neuroactive ligand-receptor interaction pathway,and further improved anxiety disorders.At the same time,combined with network pharmacology and molecular docking,the key components,core targets and related pathways of SND are discussed,which shows that the active components of SND play an effective role in anxiety through multi-targets and multi-pathways,which provides a reference for the material basis and mechanism of SND. 展开更多
关键词 SND anxiety disorders network pharmacology molecular docking pharmacological mechanisms
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Comparative study of anti-inflammatory effects of different processed products through the COX-2/PGE2 signaling pathway: based on network pharmacology and molecular docking
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作者 Ping Chen Yun-Yun Quan +2 位作者 An-Qi Zeng Ying Dai Jin Zeng pharmacology discovery 2024年第2期32-45,共14页
Background:Radix Aconiti Lateralis Preparata(Fu-zi)is a traditional Chinese medicinal herb,which has been widely used in the clinic and has potent anti-inflammatory activities.we aimed to explore the mechanisms of ext... Background:Radix Aconiti Lateralis Preparata(Fu-zi)is a traditional Chinese medicinal herb,which has been widely used in the clinic and has potent anti-inflammatory activities.we aimed to explore the mechanisms of extract containing alkaloids from different Fu-zi Processed Products(FPP)in treating inflammation,especially rheumatoid arthritis(RA).Methods:Firstly,using network pharmacology technology,the ingredients,and targets of Fu-zi were obtained by searching and screening,the targets involving RA were acquired,the intersection targets were constructed a"component-target-pathway"network.A comprehensive investigation was conducted on the anti-rheumatoid arthritis mechanisms of 5 FPPs in lipopolysaccharide(LPS)induced RAW264.7 cells,which serve as a model for RA.The production of NO and inflammatory cytokines were measured by ELISA kit.Quantitative Real-time PCR(qRT-PCR)was utilized to measure the mRNA levels.COX-2/PGE2 signaling pathway-associated proteins were determined by western blot.Results:According to a network pharmacological study,16 chemical components and 43 common targets were found in Fu-zi and 6 key targets including PTGS2 were closely related to the mechanism of Fu-zi in treating RA.The in vitro study revealed that the levels of NO,TNF-α,and IL-1βwere substantially decreased by the 5 FPPs.The 5 FPPs significantly suppressed the expression of proteins COX-2,iNOS,and NF-κB,with particularly notable effects observed for PFZ and XFZ.Conclusion:Altogether,these results demonstrated that the 5 PPS containing alkaloids have a good anti-RA-related inflammatory effect,and the mechanism may be related to COX-2/PGE2 signaling pathway,particularly,Fu-zi prepared utilizing a traditional Chinese technique. 展开更多
关键词 Radix Aconiti Lateralis Preparata(Fu-zi) rheumatoid arthritis ANTI-INFLAMMATORY network pharmacology COX-2/PGE2 signaling pathway
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Biguanides and lactic acidosis:unraveling the complex relationship
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作者 Shreyash Narade pharmacology discovery 2024年第3期48-51,共4页
Biguanides,such as metformin,have long been established as frontline medications for the management of type 2 diabetes due to their glucose-lowering effects and favorable safety profiles.However,concerns regarding the... Biguanides,such as metformin,have long been established as frontline medications for the management of type 2 diabetes due to their glucose-lowering effects and favorable safety profiles.However,concerns regarding the risk of lactic acidosis associated with biguanide use have sparked considerable debate and scrutiny.This research article aims to provide a comprehensive analysis of the relationship between biguanides,particularly metformin,and lactic acidosis.We delve into the underlying mechanisms,epidemiological evidence,risk factors,clinical manifestations,diagnostic considerations,and management strategies related to biguanide-induced lactic acidosis.Additionally,we explore recent research developments,controversies,and future directions in this critical area of pharmacovigilance and clinical practice. 展开更多
关键词 BIGUANIDES METFORMIN lactic acidosis type 2 diabetes PHARMACOVIGILANCE
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Unraveling the therapeutic mechanisms of myristic acid and luteolin 7-rutinoside in oral cancer: insights from network pharmacology and molecular docking analysis
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作者 Ansari Vikhar Danish Ahmad Misba Ruhi +4 位作者 Syed Ayaz Ali Qazi Yasar Mohd.Mukhtar Khan Subur W Khan Mohammed Imran Anees pharmacology discovery 2024年第2期1-9,共9页
Background:The compound Luteolin-7-rutinoside(L7R)is a flavone derivative of luteolin,predominantly identified in plant species belonging to the families Asteraceae.Conversely,Myristic acid is characterized by its str... Background:The compound Luteolin-7-rutinoside(L7R)is a flavone derivative of luteolin,predominantly identified in plant species belonging to the families Asteraceae.Conversely,Myristic acid is characterized by its structure as a 14-carbon,unsaturated fatty acid.In this investigation,we endeavor to elucidate the putative mechanisms underlying the therapeutic effects of Myristic Acid and Luteolin 7-rutinoside in the context of oral cancer treatment,employing network pharmacology coupled with molecular docking methodologies.Methods:The protein targets of Myristic Acid and Luteolin 7-rutinoside were identified through a search on the Swiss Target Database.Subsequently,a compound-target network was constructed using Cytoscape 3.9.1.Targets associated with OC were retrieved from the OMIM and GeneCards databases.The overlap between compound targets and OC-related targets was determined,and the resulting shared targets were subjected to protein-protein interaction(PPI)network analysis using the STRING database.Additionally,gene ontology(GO)and Kyoto Encyclopedia of Genes and Genomes(KEGG)enrichment analyses were conducted on the identified targets.Molecular docking were performed to investigate the interactions between the core target and the active compound.Results:The component target network comprises 103 nodes and 102 edges.Among the proteins in the protein-protein interaction(PPI)network,those with higher degrees are TNF,PPARG,and TP53.Analysis through Gene Ontology(GO)and Kyoto Encyclopedia of Genes and Genomes(KEGG)pathways indicates that the treatment of OC with Myristic Acid and Luteolin 7-rutinoside primarily involves the regulation of miRNA transcription and inflammatory response.The identified signaling pathways include Pathways in cancer,PPAR signaling pathway,EGFR signaling pathway,and TNF signaling pathway.Molecular docking studies reveal that Luteolin 7-rutinoside and Myristic acid exhibit higher affinity towards TNF,PPARG,TP53,and EGFR.Conclusion:This study reveals the potential molecular mechanism of Myristic Acid and Luteolin 7-rutinoside in the treatment of oral cancer,and provides a reference for subsequent basic research. 展开更多
关键词 myristic acid luteolin 7-rutinoside network pharmacology oral cancer molecular docking
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Protective effect of Liangxue Huayu decoction on human retinal pigment epithelial cell(ARPE-19)injury induced by hypoxia through autophagy pathway
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作者 Han-Ran Zheng Yi-Tong Lin +4 位作者 Sheng Chen Zi-Yang Chen Jun-Chang Cao Zhao-Da Ye Yan-Hong Hu pharmacology discovery 2024年第1期44-50,共7页
Background:Exploring the protective mechanism of the Liangxue Huayu(LXHY)decoction on human retinal pigment epithelial(RPE)cells induced by hypoxia through the autophagy pathway.Methods:The appropriate LXHY decoction ... Background:Exploring the protective mechanism of the Liangxue Huayu(LXHY)decoction on human retinal pigment epithelial(RPE)cells induced by hypoxia through the autophagy pathway.Methods:The appropriate LXHY decoction concentration was determined by CCK-8.ARPE-19 cells were divided into the normal control group(A group),CoCl_(2)group(B group),3-Methyladenine(3-MA)group(treated with 3-MA(the inhibition of autophagy pathway))(C group),blank serum(BS)group(D group),LXHY drug-contained serum(DCS)group(E group),and Rapamycin(RAP)group[treated with LXHY drug-contained serum combined with rapamycin group(the activation of autophagy pathway)](F group).Counting the number of autophagosomes and autolysosomes in each group of cells under transmission electron microscopy.After infection of cells in each group by mRFP-GFP-LC3 fusion protein adenovirus,the strength of autophagic flux was detected.The mRNA expression levels of LC3 and Beclin-1 were detected by Q-PCR.Results:CCK-8 assay results showed that LXHY DCS could inhibit the cell proliferation of ARPE-19 under hypoxia(all P<0.05).As the transmission electron microscopy assay result showed,compared with the normal control group,the number of autolysosomes was significantly increased in the CoCl_(2)group(P<0.05).Compared with CoCl_(2)group,the number of autolysosomes was significantly reduced the 3-Methyladenine group,blank serum group and LXHY drug-contained serum group(all P<0.001).As autophagic flux assay result showed,compared with the normal control group,the level of autophagosomes and autolysosomes were significantly risen in CoCl_(2)group(all P<0.001).Compared with the CoCl_(2)group,the level of autophagosomes and autolysosomes were significantly fell down in 3-Methyladenine group,blank serum group and LXHY drug-contained serum group(all P<0.05).The level of autolysosomes in the LXHY drug-contained serum group was lower than in the blank serum group(P<0.05).Compared with the LXHY drug-contained serum group,the levels of autophagosomes and autolysosomes were significantly risen in the LXHY drug-contained serum combined with the rapamycin group(all P<0.05).As the Q-PCR result showed,compared with the normal control group,the expression of LC3 and Beclin-1 mRNA were significantly reduced in the CoCl_(2)group(all P<0.001).Compared with the CoCl_(2)group,the expression of LC3 mRNA were significantly increased in the 3-Methyladenine group,blank serum group and LXHY drug-contained serum group(all P<0.001).Beclin-1 mRNA expression was increased significantly(all P<0.001)in the blank serum group and the LXHY drug-contained serum group.And Beclin-1 mRNA expression in the LXHY drug-contained serum group was statistically significant increased than blank serum group(P<0.001).In the LXHY drug-contained serum combined with the rapamycin group,the LC3 and Beclin-1 mRNA expression was reduced significantly compared with the LXHY drug-contained serum group(all P<0.001).Conclusion:The LXHY DCS has the ability to protect the human retinal pigment epithelial cell(ARPE-19)damage under hypoxia through the autophagy pathway. 展开更多
关键词 Liangxue Huayu decoction age-related macular degeneration AUTOPHAGY LYSOSOME AUTOPHAGOSOMES
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The basic core traditional C hinese medicine for the prevention and treatment of COVID-19 and its active mechanisms
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作者 Zhe Xu Zi-Xin Li +3 位作者 Zi-Yao Geng Rong-Li Shu Hui-Fang Zhou Yu-Hong Bian pharmacology discovery 2024年第1期21-30,共10页
Background:COVID-19 has had a dramatic impact on human health,economies,societies,and livelihoods around the world.Traditional Chinese medicine(TCM)formulae have played an important role in the prevention and treatmen... Background:COVID-19 has had a dramatic impact on human health,economies,societies,and livelihoods around the world.Traditional Chinese medicine(TCM)formulae have played an important role in the prevention and treatment of COVID-19.WHO evaluated the role of TCM in treating of COVID-19 and encouraged other countries to promote the use of TCM formulae.However,the key is to find the basic core traditional Chinese medicine(BC-TCM)among those formulae.Methods:For the first time,we mined the data of TCM formulae in CNIPA and analyzed herb characteristics and association rules.We then determined the BC-TCM and screened main compounds and therapeutic targets.Finally,the potential molecular mechanisms were explored by using enrichment analyses and molecular docking.Results:This study screened 123 patented TCM formulae,including 312 herbs.According to frequency statistics and association rules,nine herbs(Gan Cao,Jin Yinhua,Guang Huoxiang,Fu Ling,Huang Qi,Jie Geng,Lian Qiao,Cang Zhu,Ku Xingren)were selected as the BC-TCM.The BC-TCM involved 166 main compounds and 48 therapeutic targets.The active compounds Hederagenin,Spinasterol,Beta-sitosterol,and Liquiritin had high binding activity to the COVID-19 targets 3CL,ACE2,and core targets RELA,HSP90AA1,STAT3,MAPK3,and TP53 according to molecular docking results.Interestingly,Hederagenin might be a potential compound for the prevention and treatment of COVID-19.Conclusion:Our research predicted and confirmed the preventive therapeutic effect of BC-TCM on COVID-19.This has the potential to broaden the scope of TCM,guide people in using clinical formulae,and provide valuable insights for future TCM discovery research. 展开更多
关键词 COVID-19 traditional Chinese medicine China national intellectual property administration data mining network pharmacology
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Pharmacognostical s tudies o n Spermacoce p usilla Wallich
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作者 Ya-Kun Hao Wen-Feng Weng Sheng-Guo Ji pharmacology discovery 2024年第1期12-20,共9页
Background:Spermacoce pusilla Wallich(S.pusilla)is widely used in Guangdong province of China.It has valuable medicinal value in treating trauma,fractures,carbuncle,swelling,and poisonous snake bites.Method:The presen... Background:Spermacoce pusilla Wallich(S.pusilla)is widely used in Guangdong province of China.It has valuable medicinal value in treating trauma,fractures,carbuncle,swelling,and poisonous snake bites.Method:The present study was carried out to provide a scientific basis for the identification and authenticity of S.pusilla with the help of pharmacognostical parameters,which has not been done before.In this study,a series of related identification information such as source,character,microscopic observation,physical and chemical reaction,and molecular markers were employed to establish accurate,comprehensive pharmacognostic identification information of S.pusilla.Results:The study provided some basic data regarding the genuine crude drug.The identification efficiency of ITS sequences obtained in this study is high,the psbA-trnH sequence was obtained from S.pusilla and sequenced for the first time in this study.Conclusion:In this study,traditional pharmacognosy identification and molecular marker identification of S.pusilla in the Guangdong region were carried out,and a systematic and comprehensive pharmacognosy identification information system was established. 展开更多
关键词 Spermacoce pusilla Wallich IDENTIFICATION phytochemical screening phytochemical analysis DNA barcoding
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Exploring the molecular mechanism of Solanum nigrum L in breast cancer treatment through network pharmacology and molecular docking validation
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作者 Mei Zheng Ju-Min Xie pharmacology discovery 2024年第3期1-16,共16页
In 2020,breast cancer emerged as the leading type of cancer worldwide,surpassing lung cancer in the number of new cases.The high cost and frequent failure of current treatments due to drug resistance and other challen... In 2020,breast cancer emerged as the leading type of cancer worldwide,surpassing lung cancer in the number of new cases.The high cost and frequent failure of current treatments due to drug resistance and other challenges underscore the urgent need for novel,affordable,efficient,and less toxic breast cancer therapies with fewer side effects.This study aims to investigate the molecular mechanisms by which Solanum Nigrum L.counters breast cancer,employing network pharmacology and molecular docking methods.Methods:The study identified the primary active compounds of Solanum Nigrum L.using databases such as TCMSP,TCM-ID,NPASS,and BATMAN.Prediction of the compounds'targets was facilitated by the SwissADME website,while main breast cancer targets were sourced from the GeneCards,OMIM,and TTD databases.The identified drug-disease intersection targets were analyzed using the STRING platform to construct a protein interaction network,which was then visualized and refined to select hub targets using Cytoscape 3.9.0 software.The Metascape database's MOCDE functional plugin was employed for identifying potential functional modules within the protein interaction network.Further,the DAVID database was utilized for GO and KEGG enrichment analyses of the intersection targets.Molecular docking of key active compounds with core targets was performed using AutoDock Tools 1.5.7 software.Lastly,the GEPIA2.0 database was used for predicting overall survival curves of hub targets and conducting a pan-cancer analysis.Results:Eleven active compounds of Solanum Nigrum L.,including Diosgenin,Tigogenin,and Quercetin,were identified from traditional Chinese medicine databases.We discovered 113 targets common to both Solanum Nigrum L.and breast cancer.Solanum Nigrum L.exhibits anti-breast cancer properties through interactions with 14 key targets,including SRC,PIK3R1,HSP90AA1,PIK3CA,AKT1,VEGFA,and ESR1.These interactions influence several critical signaling pathways,notably the cancer signaling pathway,PI3K-Akt signaling pathway,Ras signaling pathway,and EGFR signaling pathway.Survival analysis indicated that the aberrant expression of these 14 key targets significantly affects patient survival times.Furthermore,pan-cancer analysis highlighted marked differences in the expression patterns of these targets between breast cancer patients and control groups.Conclusion:Solanum Nigrum L.mediates its therapeutic impact on breast cancer through a comprehensive approach,targeting multiple components,targets,and pathways. 展开更多
关键词 ANTI-CANCER molecular docking network pharmacology Solanum Nigrum L
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Progress in pathogenesis and treatment of type A hepatic encephalopathy in acute liver failure:a comprehensive review
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作者 Ye-Xin Xu He Wang +4 位作者 Kang-Rui Hu Bo-Yu Shen Lin Xie Guang-Ji Wang Yan Liang pharmacology discovery 2024年第1期1-11,共11页
Hepatic encephalopathy is a serious neuropsychiatric complication caused by liver failure,which is characterized by the development of cognitive and motor disorders into coma.Typically,hepatic encephalopathy can be di... Hepatic encephalopathy is a serious neuropsychiatric complication caused by liver failure,which is characterized by the development of cognitive and motor disorders into coma.Typically,hepatic encephalopathy can be divided into three types(A,B,and C)according to the etiology.Type A hepatic encephalopathy(AHE)caused by acute liver failure seriously affects the prognosis of patients,ranging from mild neuropsychological changes to coma,brain edema,and even death.So far,the research on the pathogenesis of AHE has focused on the toxic effects of ammonia on the central nervous system,metabolic disorders(glutamine and lactate accumulation),neurotransmission alteration,systemic inflammation,especially neuro-inflammation.All these mechanisms are not independent,but mutually have synergistic effects.In clinic,treatment of AHE based on only one mechanism is often ineffective.To clarify the pathogenesis and the interaction among the mechanisms will be beneficial to the effective treatment of AHE and reduce the mortality.The aim of this review is to provide comprehensive scientific evidence for the clinical treatment of AHE via collecting and analyzing the latest mechanism of AHE,and clarifying the relationship among these mechanisms combing the investigation of the latest research progress of drug treatment of acute liver failure.Consequently,we find that the pathogenesis of AHE is a complex neurocognitive disorder shaped by interactions among hyperammonemia,inflammation,and changes in neurotransmission,the signaling pathways thereby integrating the inflammatory and neurological inputs to impact pathophysiological or neurobehavioral outcomes. 展开更多
关键词 type A hepatic encephalopathy AMMONIA GLUTAMINE lactate inflammation blood-brain barrier neurotransmission
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Efficiency and safety of Tripterygium Wilfordii Hook F for IgA nephropathy: an update systematic review and meta-analysis
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作者 Zi-Yi He Hui-Chuan Tian +2 位作者 Yan Zhao Rui-Yu Mou Hong-Wei Yuan pharmacology discovery 2024年第2期24-31,共8页
Background:Immunoglobulin A Nephropathy(IgAN)currently stands as the most prevalent primary chronic glomerular disease worldwide.The latest guidelines recommend the application of renin-angiotensin system inhibitors(R... Background:Immunoglobulin A Nephropathy(IgAN)currently stands as the most prevalent primary chronic glomerular disease worldwide.The latest guidelines recommend the application of renin-angiotensin system inhibitors(RASi)in conjunction with corticosteroids for the treatment of IgAN patients exhibiting persistent proteinuria of≥1 g/d.However,numerous randomized controlled trials(RCTs)have revealed a heightened risk of adverse events associated with corticosteroid treatment.Multi-glycoside of Tripterygium wilfordii Hook.f.(GTW),a traditional Chinese medicine(TCM),has been employed in the treatment of Chronic Kidney Disease(CKD)for an extensive period.Recent years have witnessed an increasing number of RCTs providing evidence supporting the effectiveness of GTW therapy in IgAN.Despite this,there remains a paucity of systematic reviews on the application of GTW therapy for IgAN.Consequently,this study undertakes a systematic review to assess the clinical efficacy and safety of GTW therapy,aiming to elucidate the role of GTW therapy in the treatment of IgAN.Methods:To collect relative information of randomized controlled trials(RCTs)of GTW in the treatment of IgAN,we searched for theses and dissertations publicized before April 10,2023,in PubMed,Embase,the Cochrane Library,China National Knowledge Infrastructure(CNKI),Wanfang Data knowledge service platform(Wanfang Data),Chinese Scientific Journal Database(VIP),and Clinical Trial.The language limitation is English and Chinese.Independently,two reviewers performed literature screening,data extraction,and quality evaluation,and the meta-analysis was carried out with RevMan 5.4 and StataSE 15.0 software.Results:21 RCTs involving 1,405 Chinese patients were included.Compared to ACEI/ARB alone or in combination,GTW with RASi or alone reduced 24 h-Upro,ALB,Scr,GFR,BUN,CD4+,VEGF,ET-1,and improved clinical efficacy.However,no associations were found for TC,Ccr,and adverse events due to limited literature.Conclusion:This study highlights that Multi-glycoside of Tripterygium wilfordii Hook.f.(GTW)exhibits potential in safeguarding renal function and preserving the integrity of the basement membrane in patients with Immunoglobulin A Nephropathy(IgAN).Consequently,GTW emerges as a promising therapeutic option for individuals with IgAN.Nevertheless,it is crucial to acknowledge the limitations stemming from insufficient methodology and a small sample size,which currently obscure the relationships between certain clinical variables,such as total cholesterol(TC)and creatinine clearance(Ccr).Therefore,the substantiation of our findings necessitates more rigorous and expansive trials to enhance the robustness and generalizability of the results. 展开更多
关键词 TRIPTERYGIUM IgA nephropathy systematic review META-ANALYSIS
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Advances in cytokine-mediated mechanisms for cardiac regeneration and repair post-myocardial infarction:a comprehensive review
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作者 Zi-Heng Zhang Yang Yang pharmacology discovery 2024年第3期30-35,共6页
Cardiovascular disease(CVD)has become the leading cause of death globally,imposing significant health and economic burdens.Among these,myocardial infarction(MI)is a predominant cause of mortality.Several animal studie... Cardiovascular disease(CVD)has become the leading cause of death globally,imposing significant health and economic burdens.Among these,myocardial infarction(MI)is a predominant cause of mortality.Several animal studies have shown that cytokines participate in cardiac regeneration and repair by modulating cellular proliferation,differentiation,and apoptosis post-MI.Here,we explored the crucial role of cytokines in cardiac regeneration and repair processes in experimental animal models,detailing how cytokines modulate cellular mechanisms involved in repairing cardiac tissue post myocardial infarction(MI).Specifically,it highlights the activation of cardiac stem cells and progenitors,the regulation of inflammatory responses to prevent excessive damage,and the involvement in matrix remodeling to ensure functional integrity of the heart.This comprehensive examination underscores the therapeutic potential of enhancing cytokine secretion to mitigate adverse effects and promote recovery following MI,offering insights into possible interventions that could improve patient outcomes in clinical settings. 展开更多
关键词 CYTOKINES myocardial infarction experimental animal model promotion of cytokine release
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Bibliometric analysis of 100 most-cited papers on Icariin
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作者 Lin Mao Yi-Feng Shen +5 位作者 Kun Zhu Jun-Long Zhu Xiao-Peng Huang De-Gui Chang Yao-Dong You Dong-Dong Yang pharmacology discovery 2024年第3期36-47,共12页
Icariin is the most prevalent component of the medicinal herb Herba Epimedii.Icariin exhibits many medicinal properties,including anti-cancer impact and osteoprotective and neuroprotective effects.The goal of this stu... Icariin is the most prevalent component of the medicinal herb Herba Epimedii.Icariin exhibits many medicinal properties,including anti-cancer impact and osteoprotective and neuroprotective effects.The goal of this study was to use bibliometric analysis to find and describe the top 100 papers about Icariin that had received the most citations.The Science Citation Index-Expanded(SCI-E)of the Web of Science Core Collection was used to find publications on Icariin(WoSCC).Descriptive analysis was conducted using VOSviewer software.There were 1473 articles about Icariin in all.The top 100 papers were published between 1996 and 2024 and received citations in the range of 55 to 390.The country that has contributed the most to Icariin research is China(84).The most productive institution was Fudan University.The most published journal was Phytomedicine.The research hotspots of Icariin mainly focus on the following aspects:research on Icariin treatment of sex hormone-related osteoporosis and erectile function;The effect of Icariin on cells by regulating oxidative stress,apoptosis,and proliferation;the mechanism of Icariin in the treatment of cancer;the neuroprotective effect of Icariin in central nervous diseases,such as Alzheimer's disease,Parkinson's disease,and depression.Future research should focus on further elucidating Icariin's anti-tumor effects,its application in cartilage tissue engineering and orthopedic biomaterials,and developing novel drug delivery systems to enhance its bioavailability.This research contributed essential knowledge to the study of Icariin.These results may be used in new study areas and to direct drug development. 展开更多
关键词 ICARIIN Herba Epimedii VOSviewer BIBLIOMETRICS
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Pharmacokinetics of Gelsemium elegans in female rats
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作者 Xiao-Tong Zhang Jun-Jie Cao +1 位作者 Meng-Ting Zuo Zhao-Ying Liu pharmacology discovery 2024年第3期17-21,共5页
Background:Gelsemium elegans Benth(G.elegans)is a poisonous perennial evergreen vine plant that has been applied in livestock production and veterinary clinical practice.Early studies found that the toxicity of G.eleg... Background:Gelsemium elegans Benth(G.elegans)is a poisonous perennial evergreen vine plant that has been applied in livestock production and veterinary clinical practice.Early studies found that the toxicity of G.elegans showed significant gender differences in rats,but the underlying reasons for this difference are still not well understood.Methods:In order to explore whether the gender differences in the toxicity of G.elegans are related to pharmacokinetic differences,based on the previous pharmacokinetic study of multiple components of G.elegans in male rats,this study used HPLC-MS/MS method established in the laboratory to conduct a pharmacokinetic study of multiple alkaloids in the plasma of female rats after a single gavage administration of G.elegans(dose of 0.1 g/kg).Results:Through detection,17 alkaloid components in the plasma of female rats were identified,and the pharmacokinetic parameters of 11 of these alkaloids were calculated.We find that in female rats.The T_(max)values were generally less than 0.5 h,and the T_(1/2)values exceeded 3 h,with the longest reaching up to 32.80 h half elimination time.Additionally,the C_(max)and AUC results indicated that female rats had generally higher absorption and exposure levels for most alkaloids.Conclusion:These results suggest that the reason for the differences in the toxicology of G.elegans may be related to the absorption and exposure of gelsemidine-type alkaloids in animals. 展开更多
关键词 Gelsemium elegans ALKALOIDS PHARMACOKINETICS female rats
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Comment on “A novel antibiotic class targeting the lipopolysaccharide transporter”
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作者 Ruo-Yi Lv Xiao-Ye Liu pharmacology discovery 2024年第2期52-53,共2页
Crisis of antibiotic resistant has become a global threat to public health in recent decades[1–4].Carbapenem antibiotics are a class of atypicalβ-lactam antibiotics with the broadest antibacterial spectrum and the s... Crisis of antibiotic resistant has become a global threat to public health in recent decades[1–4].Carbapenem antibiotics are a class of atypicalβ-lactam antibiotics with the broadest antibacterial spectrum and the strongest antibacterial activity.However,carbapenem-resistant Acinetobacter baumannii(CRAB)is stilly emerging,which is a gram-negative bacterium with lipopolysaccharide(LPS),which makes it resistant to several antibiotics and thus difficult to eliminate[5,6].As the number one pathogen of nosocomial infection,CRAB can cause severe pneumonia and bloodstream infection,etc.The mortality rate of patients infected with invasive CRAB can be as high as 40%to 60%,and it has been listed as the key pathogen of Class 1 by the World Health Organization.Due to the lack of feasible antibiotic strategies,phage combination therapy has been used in some patients,while the efficacy is limited[7].Therefore,new discovery and development of antibiotic that targeting CRAB is urgently demand.Fortunately,Kenneth A. 展开更多
关键词 MORTALITY LISTED eliminate
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Research progress of local characteristic drugs for treatment of rheumatoid arthritis in Xinjiang
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作者 Yan Meng Ling-Rui Wang +1 位作者 Shan Cong Li Luo pharmacology discovery 2024年第2期46-51,共6页
Rheumatoid arthritis(RA)is a systemic autoimmune disease characterized by synovitis.This disease tends to recur,persist,and is difficult to cure.The pathogenesis of RA is complex.Currently,the commonly used treatments... Rheumatoid arthritis(RA)is a systemic autoimmune disease characterized by synovitis.This disease tends to recur,persist,and is difficult to cure.The pathogenesis of RA is complex.Currently,the commonly used treatments for RA—non-steroidal anti-inflammatory drugs(NSAIDs),disease-modifying anti-rheumatic drugs(DMARDs),glucocorticoids,and immunosuppressants—have notable side effects with long-term use and may be ineffective for some patients.Therefore,it is crucial to find drugs with limited side effects and significant curative effects.Xinjiang's local characteristic drugs have a long history,abundant resources,and are known for their safety and effectiveness in treating RA.In recent years,many studies have reported on the mechanisms of action and therapeutic effects of Xinjiang's local characteristic drugs on RA.This article reviews the pathogenesis of RA,as well as the research progress and treatment characteristics of Xinjiang-featured drugs. 展开更多
关键词 local characteristic drugs in Xinjiang rheumatoid arthritis
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