精准医学研究最新文献

{"title":"Novel coumarone-derived (S,E)-4-(4-fluorobenzylidene)-3-phenylchroman-3-ol inhibits muscle-invasive bladder cancer cells by repressing the S and G2 cell cycle phases","authors":"Xin-Yi Han, Audrey Li, Faying Zhou, Chao Li, Guoqiang Liu, Yong Xia","doi":"10.53388/pmr20230007","DOIUrl":"https://doi.org/10.53388/pmr20230007","url":null,"abstract":"","PeriodicalId":59651,"journal":{"name":"精准医学研究","volume":"1 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2023-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"70816638","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"To explore the mechanism of Naodesheng tablets in the treatment of atherosclerosis based on network pharmacology and bioinformatics","authors":"Peng Wang, Jia-Hui Hu, Shuo Zhang, Zhu-ling Chu, Youting Zhang","doi":"10.53388/pmr20230009","DOIUrl":"https://doi.org/10.53388/pmr20230009","url":null,"abstract":"Background: Naodesheng tablets (NDST) was widely used in clinical treatment as a drug for cardiovascular diseases, but the mechanism for treating atherosclerosis was unknown. On the basis of network pharmacology and bioinformatics, predict the relevant targets and signalling pathways for NDST in the treatment of atherosclerosis. Methods : First, the targets of NDST and the targets for treating atherosclerosis were looked for in different databases. Next, Venny 2.1.0 was used to find the genes that overlapped between NDST and targets for treating atherosclerosis. Subsequently, the herb-active ingredient-target-disease were obtained to explore the hub compound. Furthermore, the Metascape database was used for Gene Ontology and Kyoto Encyclopedia of Genes and Genomes enrichment analysis. And we constructed the “active ingredient-intersection target-pathway” network by Cytoscape software to gain the hub genes and pathways. Finally, molecular docking was used to verify the affinity of hub ingredients and hub genes. Results: In the results, 67 active ingredients and 322 targets of NDST were selected in ingredients-targets network. 154 overlapping targets of NDST (322) and atherosclerosis (1330) were obtained. Then, the herb-active ingredient-target-disease showed that quercetin, apigenin and luteolin were the hub ingredients to treat atherosclerosis. Further, the hub genes (PTGS2, RXRA, CASP3) and pathways (lipid and atherosclerosis) were accessed in active ingredient-intersection target-pathway. Finally, the results indicated that quercetin, apigenin and luteolin were better binding the PTGS2, RXRA, CASP3, especially PTGS2 and luteolin in molecular docking. Conclusion: In conclusion, quercetin, apigenin and luteolin, as the main ingredients of NDST could play a important role in PTGS2, RXRA, and CASP3 for treating atherosclerosis via the lipid and atherosclerosis (TNF signaling pathway).","PeriodicalId":59651,"journal":{"name":"精准医学研究","volume":"1 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2023-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"70816704","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Study on the molecular mechanism of Osmanthus fragrans Lour. on boosting immunity based on network pharmacology and molecular docking","authors":"Siwen Hui, J. Wen, Si-Bo Xiong, Chen Sheng, Xing Wang, Yan He, Meng-Jiao Jiang, Qing Min, Na Wang, Shuanglin Qin","doi":"10.53388/pmr20230003","DOIUrl":"https://doi.org/10.53388/pmr20230003","url":null,"abstract":"","PeriodicalId":59651,"journal":{"name":"精准医学研究","volume":"1 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2023-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"70816812","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Elucidating the molecular targets of Curcuma longa for breast cancer treatment using network pharmacology, molecular docking and molecular dynamics simulation","authors":"C. T. Tarkaa, Damilare Adebayo Oyaniyi, R. A. Salaam, R. P. Ebuh, Olusola Abayomi Akangbe, Sayo Ebenezer Oladokun, Rodiat Omotola Sowemimo, Oluwaponmile Florence Ajayi","doi":"10.53388/pmr20230008","DOIUrl":"https://doi.org/10.53388/pmr20230008","url":null,"abstract":"Background: To elucidate the molecular mechanisms of Curcuma longa ( C. longa ) in breast cancer treatment. Methods: Phytocompounds of C. longa were obtained from Dr. Duke’s Phytochemical and Ethnobotanical Database. Potential active targets were retrieved from Bindingdb, SEA and Swiss Target Prediction databases. Breast cancer targets were retrieved from the Therapeutic Target Database. Gene Ontology and Kyoto Encyclopedia of Genes and Genomes pathway enrichment analyses were done using DAVID and KOBAS3.0 databases respectively. The Cytoscape software was used to construct the phytocompound-target-pathway network. The PyRx and Desmond software were utilized for molecular docking and molecular dynamics simulation respectively. Results: Out of one hundred and fifty-six phytocompounds, fifty-four modulated proteins involved in breast cancer. Gene Ontology and Kyoto Encyclopedia of Genes and Genomes pathway analysis indicated C. longa exerts its therapeutic effect through regulating several key pathways. Molecular docking analysis revealed that most phytocompounds of C. longa had a good affinity with the key targets. Molecular dynamics simulation showed that ethinylestradiol formed stable ligand-protein complexes. Conclusion: The results of this study will enhance our understanding of the potential molecular mechanisms by which C. longa inhibits breast cancer and lay a foundation for future experimental studies.","PeriodicalId":59651,"journal":{"name":"精准医学研究","volume":"1 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2023-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"70816684","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"VEXAS syndrome: is there an effective treatment?","authors":"Domina Petric","doi":"10.53388/pmr20230001","DOIUrl":"https://doi.org/10.53388/pmr20230001","url":null,"abstract":"","PeriodicalId":59651,"journal":{"name":"精准医学研究","volume":"1 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2023-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"70816731","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Opportunities and challenges of nano/micro motors in biomedical applications","authors":"Jin-Rong Zheng, Mang-mang Sang","doi":"10.53388/pmr20230005","DOIUrl":"https://doi.org/10.53388/pmr20230005","url":null,"abstract":"","PeriodicalId":59651,"journal":{"name":"精准医学研究","volume":"170 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2023-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"70816543","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Network pharmacology and molecular docking techniques to explore the mechanism of Smilax china L. in the treatment of myocardial infarction","authors":"Qing Lan, Peng Wang, Shuo Zhang, Qiao-yun Zhang, Tong Wang, G. Ma, You-zhi Zhang","doi":"10.53388/pmr20230004","DOIUrl":"https://doi.org/10.53388/pmr20230004","url":null,"abstract":"","PeriodicalId":59651,"journal":{"name":"精准医学研究","volume":"1 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2023-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"70816450","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Effects of curcumin on uterine leiomyoma in a rat model by inhibiting β-catenin/Wnt signaling pathway","authors":"Wen-Xian Li, Jia-li Bai, Li Fu, Yanqing Zhu, Ge Fan, Bing Yang, Cheng-liang Yin","doi":"10.53388/pmr20230006","DOIUrl":"https://doi.org/10.53388/pmr20230006","url":null,"abstract":"","PeriodicalId":59651,"journal":{"name":"精准医学研究","volume":"1 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2023-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"70816583","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Structure-based multi-ligand molecular modeling to predict the synergistic effects of limonin and obacunone from Simiao pill against nitric oxide synthase 3 associated with hyperuricemia","authors":"Qingyong Chen, Xiaomin Chen, Xiao-hu Chen, Yanhui You, Shuang Yang, Chuang-Hai Wu, Mei-Lin Chen, Ming-Di Li, Akari Komori, Yan-Yan Liu, A. Hung, Xiao-shan Zhao, Hong Li","doi":"10.53388/pmr20230013","DOIUrl":"https://doi.org/10.53388/pmr20230013","url":null,"abstract":"Hyperuricemia (HUA) mainly occurs because of purine metabolism disorders. We recently proposed that limonin from Simiao pill may have therapeutic effects on nitric oxide synthase 3 (NOS3) that is related to HUA. Concurrently, our previous work employed a new method, structure-based multi-ligand molecular modeling, to identify potential agents from a herbal formula that may produce synergistic effects and may have the potential to develop combination drugs. Therefore, we employed multi-ligand modeling to seek compounds with potential synergistic effects with limonin against NOS3. We obtained 403 multi-ligand docking results between 403 compounds and the limonin-NOS3 complex (average affinity –8.297 kcal/mol). Then we selected the top 10 highest binding affinity compounds for virtual pharmacokinetic and toxicity screening and we found that only obacunone passed all filters. We further subjected obacunone, bound to limonin and NOS3, to molecular dynamics simulations. We found that the NOS3-limonin-obacunone complex was more stable than the NOS3-limonin complex, based on the root mean square deviation of backbone Cα atoms and root mean square fluctuation, which suggests that synergistic effects may exist between limonin and obacunone. Further cell and animal experimental research is required to verify our results.","PeriodicalId":59651,"journal":{"name":"精准医学研究","volume":"1 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2023-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"70817325","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Mechanism of Cordyceps sinensis in atherosclerosis treatment based on network pharmacology and molecular docking analysis","authors":"Jinrong Lang, Y. Hao, Ping Li, Z. Cui, Qian Cheng, Shi-Kai Wang","doi":"10.53388/pmr20230010","DOIUrl":"https://doi.org/10.53388/pmr20230010","url":null,"abstract":"Background: The present study intented to delve into the molecular mechanism of Cordyceps sinensis ( C. sinensis ) in treating atherosclerosis by combining network pharmacology and molecular docking analysis. Methods: We searched the databases including Traditional Chinese Medicines Systems Pharmacology Database and Analysis Platform, PubChem, and PharmMapper to screen out the active chemical ingredients of C. sinensis and the corresponding targets. The String database was used for the matching normalization of results, and the software Cytoscape 3.7.2 was adopted to establish the C. sinensis -active components-targets of action-disease network. The databases of Online Mendelian Inheritance in Man database, GeneCards, Therapeutic Target Database, and DisGNET were searched to yield the major targets of atherosclerosis (AS), which were matched with the active component targets of C. sinensis to identify the potential therapeutic targets. The String database was utilized to set up the protein-protein interaction network, and Cytoscape software was applied for topological analysis, which was followed by the Gene Ontology analysis and Kyoto Encyclopedia of Genes and Genomes signaling pathway analysis based on the DAVID database. Finally, the core components of C. sinensis and the targets of action were confirmed via molecular docking on AutoDock Vina and PyMOL. Results: In total, 7 bioactive ingredients of C. sinensis were identified from Traditional Chinese Medicines Systems Pharmacology Database and Analysis Platform database and 319 predicted targets were obtained, 231 of which were associated with AS. The core targets involved in AS treatment with C. sinensis included MAPK1, SRC, PIK3R1, AKT1, and HSP90AA1. The enrichment analysis unveiled the primary pathways involved in these processes, such as pathways in cancer and lipid and atherosclerosis. Moreover, through molecular docking, it was found that the active ingredients of C. sinensis presented with strong binding capacities with their corresponding targets, and the strongest binding capacity was observed between peroxyergosterol and SRC. Conclusions: The present study revealed at the molecular level that C. sinensis played its role in AS treatment through multiple drug active components, targets of action and pathways, which would point out the direction and provide theoretic basis for future research.","PeriodicalId":59651,"journal":{"name":"精准医学研究","volume":"1 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2023-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"70816890","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}