Pub Date : 2021-01-01DOI: 10.7501/j.issn.0253-2670.2021.16.021
Y. Wei, J. T. Li, X. Ren, X. Fu
Objective: To mine the distribution rules of antiviral traditional Chinese medicine (TCM), in order to provide the basis for the screening of antiviral activity of TCM and candidate prescriptions for current epidemic prevention and control. Methods: Taking the Research and Application of Antiviral Chinese Herbal Medicine and the literature reports of antiviral TCM in CNKI and Web of science as information sources, the relevant information was standardized, and the distribution rules of medicinal properties, families and genera, active ingredients and activity of antiviral TCM were mined by frequency analysis, co-occurrence analysis and phylogenetic tree construction methods. Results: A total of 511 antiviral TCM were screened, containing 41 of the 48 herbs involved in the "three medicines and three prescriptions" of coronavirus disease 2019 (COVID-19). Mostly with medicinal properties such as cold nature, bitter taste, return to the lung and liver meridian, among which Bailangen (Isatidis Radix), Huangqin (Scutellariae Radix), and Jinyinhua (Lonicerae Japonicae Flos) were the most common. The data of coronaviridae was 135, and the high-frequency TCM were Chaihu (Bupleuri Radix), Gancao (Glycyrrhizae Radix et Rhizoma), and Isatidis Radix. Meanwhile, it was found that Isatidis Radix and Kudouzi (the seed of Sophora alopecuroides) were the most studied TCM during the SARS period in 2003, while in 2020, the research on Sangbaipi (Mori Cortex) was the first when COVID-19 was sudden. The effective ingredients of antiviral TCM were mostly polysaccharides and flavonoids. TCM with antiviral effects involved a total of 564 base source species, which had significant clustering on phylogenetic trees and were mainly distributed in the chrysanthemum and rose branches of the seed plant phylum, with Asteraceae, Labiatae, Leguminosae, and Rosaceae having the most antiviral TCM. Conclusion: These results suggested that the attributes of TCM with antiviral effects are mainly bitter, cold, lung and liver meridian. TCM origin from Asteraceae, Labiatae, and Leguminosae are more likely to have antiviral effects. Their effective components such as astragalus polysaccharide, Isatidis Radix polysaccharide, quercetin, caffeic acid and ursolic acid are polysaccharides or flavonoids, and these rules are basically consistent with the "three medicines and three prescriptions" promoted and used in this fight against the COVID-19 epidemic. This study provides a reference for the screening of antiviral TCM activity, especially for the screening of candidate TCM for the prevention and control of the current COVID-19.
目的:挖掘抗病毒中药的分布规律，为当前疫情防控中筛选抗病毒中药及候选方剂提供依据。方法:以《中药抗病毒研究与应用》和中国知网、Web of science上的抗病毒中药文献报道为信息源，对相关信息进行规范化，采用频次分析、共现分析和系统发育树构建方法，挖掘抗病毒中药的药性、科属、有效成分和活性的分布规律。结果:共筛选到511种抗病毒中药，在冠状病毒病2019 (COVID-19)“三药三方”涉及的48种中草药中含有41种。多具有性寒、味苦、回肺肝经等药性，其中百兰根(板蓝根)、黄芩(黄芩)、金银花(金银花)最为常见。冠状病毒科资料135份，高频中药为柴胡、甘草和板蓝根。同时，2003年SARS期间研究最多的中药是板蓝根和苦豆子，而2020年突然发生COVID-19时，研究最多的中药是桑白皮。中药抗病毒的有效成分主要是多糖和黄酮类化合物。具有抗病毒作用的中药共涉及564个基源种，在系统发育树上具有显著的聚类性，主要分布在种子植物门的菊花和玫瑰枝上，其中具有抗病毒作用的中药以菊科、唇科、豆科和蔷薇科最多。结论:具有抗病毒作用的中药属性以苦、寒、肺、肝经为主。来自菊科、唇科和豆科的中药更有可能具有抗病毒作用。其有效成分黄芪多糖、板蓝根多糖、槲皮素、咖啡酸、熊果酸等均为多糖或黄酮类化合物，这些规律与本次抗击疫情中推广使用的“三药三方”基本一致。本研究为中药抗病毒活性的筛选，特别是为当前新型冠状病毒肺炎防控候选中药的筛选提供参考。
{"title":"Distribution rules of antiviral traditional Chinese medicine based on data driven analysis","authors":"Y. Wei, J. T. Li, X. Ren, X. Fu","doi":"10.7501/j.issn.0253-2670.2021.16.021","DOIUrl":"https://doi.org/10.7501/j.issn.0253-2670.2021.16.021","url":null,"abstract":"Objective: To mine the distribution rules of antiviral traditional Chinese medicine (TCM), in order to provide the basis for the screening of antiviral activity of TCM and candidate prescriptions for current epidemic prevention and control. Methods: Taking the Research and Application of Antiviral Chinese Herbal Medicine and the literature reports of antiviral TCM in CNKI and Web of science as information sources, the relevant information was standardized, and the distribution rules of medicinal properties, families and genera, active ingredients and activity of antiviral TCM were mined by frequency analysis, co-occurrence analysis and phylogenetic tree construction methods. Results: A total of 511 antiviral TCM were screened, containing 41 of the 48 herbs involved in the \"three medicines and three prescriptions\" of coronavirus disease 2019 (COVID-19). Mostly with medicinal properties such as cold nature, bitter taste, return to the lung and liver meridian, among which Bailangen (Isatidis Radix), Huangqin (Scutellariae Radix), and Jinyinhua (Lonicerae Japonicae Flos) were the most common. The data of coronaviridae was 135, and the high-frequency TCM were Chaihu (Bupleuri Radix), Gancao (Glycyrrhizae Radix et Rhizoma), and Isatidis Radix. Meanwhile, it was found that Isatidis Radix and Kudouzi (the seed of Sophora alopecuroides) were the most studied TCM during the SARS period in 2003, while in 2020, the research on Sangbaipi (Mori Cortex) was the first when COVID-19 was sudden. The effective ingredients of antiviral TCM were mostly polysaccharides and flavonoids. TCM with antiviral effects involved a total of 564 base source species, which had significant clustering on phylogenetic trees and were mainly distributed in the chrysanthemum and rose branches of the seed plant phylum, with Asteraceae, Labiatae, Leguminosae, and Rosaceae having the most antiviral TCM. Conclusion: These results suggested that the attributes of TCM with antiviral effects are mainly bitter, cold, lung and liver meridian. TCM origin from Asteraceae, Labiatae, and Leguminosae are more likely to have antiviral effects. Their effective components such as astragalus polysaccharide, Isatidis Radix polysaccharide, quercetin, caffeic acid and ursolic acid are polysaccharides or flavonoids, and these rules are basically consistent with the \"three medicines and three prescriptions\" promoted and used in this fight against the COVID-19 epidemic. This study provides a reference for the screening of antiviral TCM activity, especially for the screening of candidate TCM for the prevention and control of the current COVID-19.","PeriodicalId":10295,"journal":{"name":"Chinese Traditional and Herbal Drugs","volume":"92 1","pages":"4959-4972"},"PeriodicalIF":0.0,"publicationDate":"2021-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"80550779","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}
Pub Date : 2020-10-28DOI: 10.7501/J.ISSN.0253-2670.2020.20.022
Meng Luo, Xiao-Dong Huang, Bo Jiang, K. Lv, Qian Yang, Qinguo Sun
Objective: To build a model to predict critically ill-patients with coronavirus disease 2019 (COVID-19), and provide a new idea for the rapid identification of clinical progression in the early stage of critically ill-patients Methods: A retrospective analysis of the general data of 152 general patients and 323 critically ill-patients diagnosed with COVID-19 from Jan 17th, 2020 to Feb 25th, 2020 in Wuhan Third Hospital was carried out;At the same time, the differences in fever, blood routine, liver and kidney function, coagulation function, C-reactive protein (CRP), and nucleic acid reagent testing results from the day of admission were statistically analyzed Factors with statistical significance were included in a multivariate logistic regression analysis to obtain independent relevant factors that affect the critical ill-patients with COVID-19 Then a prediction model was built based on these factors and its accuracy was evaluated by the receiver operating characteristic (ROC) curve Results: The sensitivities of age, fever, neutrophil ratio, lymphocyte ratio, serum creatinine (Scr) and combined diagnosis were 0 664, 0 671, 0 607, 0 669, 0 302 and 0 710, respectively;The specificities were 0 669, 0 585, 0 795, 0 685, 0 895 and 0 802, respectively;The area under the curve (AUC) were 0 725, 0 628, 0 721, 0 681, 0 590 and 0 795, respectively;The AUC of combined diagnosis was higher than that of single diagnosis (P < 0 05) Conclusion: The logistic regression and combined with ROC curve model based on multi-factors, including age, fever status, neutrophil ratio, lymphocyte ratio, and Scr, can play a good role in predicting the occurrence of critically ill-patients with COVID-19, which is worthy of further promotion and application
{"title":"Logistic regression combined with ROC curve model to predict risk of critically ill-patients with COVID-19","authors":"Meng Luo, Xiao-Dong Huang, Bo Jiang, K. Lv, Qian Yang, Qinguo Sun","doi":"10.7501/J.ISSN.0253-2670.2020.20.022","DOIUrl":"https://doi.org/10.7501/J.ISSN.0253-2670.2020.20.022","url":null,"abstract":"Objective: To build a model to predict critically ill-patients with coronavirus disease 2019 (COVID-19), and provide a new idea for the rapid identification of clinical progression in the early stage of critically ill-patients Methods: A retrospective analysis of the general data of 152 general patients and 323 critically ill-patients diagnosed with COVID-19 from Jan 17th, 2020 to Feb 25th, 2020 in Wuhan Third Hospital was carried out;At the same time, the differences in fever, blood routine, liver and kidney function, coagulation function, C-reactive protein (CRP), and nucleic acid reagent testing results from the day of admission were statistically analyzed Factors with statistical significance were included in a multivariate logistic regression analysis to obtain independent relevant factors that affect the critical ill-patients with COVID-19 Then a prediction model was built based on these factors and its accuracy was evaluated by the receiver operating characteristic (ROC) curve Results: The sensitivities of age, fever, neutrophil ratio, lymphocyte ratio, serum creatinine (Scr) and combined diagnosis were 0 664, 0 671, 0 607, 0 669, 0 302 and 0 710, respectively;The specificities were 0 669, 0 585, 0 795, 0 685, 0 895 and 0 802, respectively;The area under the curve (AUC) were 0 725, 0 628, 0 721, 0 681, 0 590 and 0 795, respectively;The AUC of combined diagnosis was higher than that of single diagnosis (P < 0 05) Conclusion: The logistic regression and combined with ROC curve model based on multi-factors, including age, fever status, neutrophil ratio, lymphocyte ratio, and Scr, can play a good role in predicting the occurrence of critically ill-patients with COVID-19, which is worthy of further promotion and application","PeriodicalId":10295,"journal":{"name":"Chinese Traditional and Herbal Drugs","volume":"31 1","pages":"5287-5292"},"PeriodicalIF":0.0,"publicationDate":"2020-10-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"78093517","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}
Pub Date : 2020-05-12DOI: 10.7501/J.ISSN.0253-2670.2020.09.010
Lei Song, Siwei Bi, J. Gu, Tong Wu, L. He
Objective: To screen inhibitors targeting SARS-CoV-2 S protein-ACE2 interaction by molecular docking Methods: Candidate natural products were collected from Selleck China natural product library (Catalog No L1400, 2 054 natural products) The structure of SARS-CoV-2 S protein-ACE2 had been determined by Qiang Zhou team (PDB: 6M17) The molecular docking was performed by Discovery Studio Results: Based on the virtual amino acid mutation experiment which determined the key amino acids, the binding cavity was created Then, 11 compounds were screened out from the natural compound library: digitonin, Lonicera grisea saponin A, forsythiaside B, L grisea saponin B, Dipsacus asperges saponin B, hederacoside D, platycodon D, echinacoside, ginsenoside Rb2, ginsenoside Rc, and chlorogenic acid C Conclusion: The 11 potential inhibitors targeting SARS-CoV-2 S protein-ACE2 interaction were screened out from natural products library, which provides a reference for the research of new anti SARS-CoV-2 drugs
{"title":"Screening novel inhibitors targeting SARS-CoV-2 S protein-ACE2 interaction based on molecular docking","authors":"Lei Song, Siwei Bi, J. Gu, Tong Wu, L. He","doi":"10.7501/J.ISSN.0253-2670.2020.09.010","DOIUrl":"https://doi.org/10.7501/J.ISSN.0253-2670.2020.09.010","url":null,"abstract":"Objective: To screen inhibitors targeting SARS-CoV-2 S protein-ACE2 interaction by molecular docking Methods: Candidate natural products were collected from Selleck China natural product library (Catalog No L1400, 2 054 natural products) The structure of SARS-CoV-2 S protein-ACE2 had been determined by Qiang Zhou team (PDB: 6M17) The molecular docking was performed by Discovery Studio Results: Based on the virtual amino acid mutation experiment which determined the key amino acids, the binding cavity was created Then, 11 compounds were screened out from the natural compound library: digitonin, Lonicera grisea saponin A, forsythiaside B, L grisea saponin B, Dipsacus asperges saponin B, hederacoside D, platycodon D, echinacoside, ginsenoside Rb2, ginsenoside Rc, and chlorogenic acid C Conclusion: The 11 potential inhibitors targeting SARS-CoV-2 S protein-ACE2 interaction were screened out from natural products library, which provides a reference for the research of new anti SARS-CoV-2 drugs","PeriodicalId":10295,"journal":{"name":"Chinese Traditional and Herbal Drugs","volume":"8 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2020-05-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"87443760","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}
Pub Date : 2016-01-28DOI: 10.7501/J.ISSN.0253-2670.2016.02.027
Wei Zhou, W. Kong, Mei-hua Yang, Ming Zhao, Zhen Ouyang
{"title":"Assessment on potential toxic and side effects of raw materials in Chinese materia medica cosmetics","authors":"Wei Zhou, W. Kong, Mei-hua Yang, Ming Zhao, Zhen Ouyang","doi":"10.7501/J.ISSN.0253-2670.2016.02.027","DOIUrl":"https://doi.org/10.7501/J.ISSN.0253-2670.2016.02.027","url":null,"abstract":"","PeriodicalId":10295,"journal":{"name":"Chinese Traditional and Herbal Drugs","volume":"32 1","pages":"352-357"},"PeriodicalIF":0.0,"publicationDate":"2016-01-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"77558141","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}
Objective To study the chemical constituents from Glechoma longituba and their anti-oxidant activity in vitro.Methods The chemical constituents were isolated and purified by solvent extraction,repeated silica gel column chromatography,and reverse phase preparative HPLC.Their structures were identified on the basis of ESI-MS and NMR spectra.The anti-oxidant activities of these compounds were screened by DPPH free radical scavenging assay in vitro.Results Ten compounds were isolated and elucidated as cosmosiin(1),dihydrocaffeic acid(2),caffeic acid(3),isololiolide(4),vomifoliol(5),glecholone(6),apigenin(7),aurantiamide(8),(+)-lariciresinol(9),and()-syringaresinol(10).Conclusion Compounds 2,4,and 8—10 are isolated from the plants in Glechoma L.for the first time;Compounds 9 and 10 are lignans firstly obtained from this plant.DPPH free radical scavenging assays show that compounds 2,3,9,and 10 exhibit potential anti-oxidant activity.
{"title":"Chemical constituents from Glechoma longituba","authors":"Qu Haibin","doi":"10.4268/cjcmm20140428","DOIUrl":"https://doi.org/10.4268/cjcmm20140428","url":null,"abstract":"Objective To study the chemical constituents from Glechoma longituba and their anti-oxidant activity in vitro.Methods The chemical constituents were isolated and purified by solvent extraction,repeated silica gel column chromatography,and reverse phase preparative HPLC.Their structures were identified on the basis of ESI-MS and NMR spectra.The anti-oxidant activities of these compounds were screened by DPPH free radical scavenging assay in vitro.Results Ten compounds were isolated and elucidated as cosmosiin(1),dihydrocaffeic acid(2),caffeic acid(3),isololiolide(4),vomifoliol(5),glecholone(6),apigenin(7),aurantiamide(8),(+)-lariciresinol(9),and()-syringaresinol(10).Conclusion Compounds 2,4,and 8—10 are isolated from the plants in Glechoma L.for the first time;Compounds 9 and 10 are lignans firstly obtained from this plant.DPPH free radical scavenging assays show that compounds 2,3,9,and 10 exhibit potential anti-oxidant activity.","PeriodicalId":10295,"journal":{"name":"Chinese Traditional and Herbal Drugs","volume":"20 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2013-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"78251482","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}
Objective To study the chemical constituents in ethyl acetate fraction from the stem bark of Aegiceras corniculatum. Methods The compounds were isolated by silica gel column chromatography and their structures were elucidated by means of spectral analyses. Results Six compounds were identified as 16α, 28-dihydroxyl-3-oxo-12-oleanene (Ⅰ), 5-O-methylembelin (Ⅱ), stigasterol (Ⅲ), α-spinosterol (Ⅳ), fucosterol (Ⅴ), palmitic acid (Ⅵ). Conclusion Compound Ⅰ is a new triterpene named as aegi-cornin and compounds Ⅲ-Ⅵ are isolated from this plant for the first time.
{"title":"Chemical constituents of mangrove plant Aegiceras corniculatum","authors":"Wu Jun","doi":"10.1021/np030477z.s001","DOIUrl":"https://doi.org/10.1021/np030477z.s001","url":null,"abstract":"Objective To study the chemical constituents in ethyl acetate fraction from the stem bark of Aegiceras corniculatum. Methods The compounds were isolated by silica gel column chromatography and their structures were elucidated by means of spectral analyses. Results Six compounds were identified as 16α, 28-dihydroxyl-3-oxo-12-oleanene (Ⅰ), 5-O-methylembelin (Ⅱ), stigasterol (Ⅲ), α-spinosterol (Ⅳ), fucosterol (Ⅴ), palmitic acid (Ⅵ). Conclusion Compound Ⅰ is a new triterpene named as aegi-cornin and compounds Ⅲ-Ⅵ are isolated from this plant for the first time.","PeriodicalId":10295,"journal":{"name":"Chinese Traditional and Herbal Drugs","volume":"20 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2007-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"88847701","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}
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