目的:荆防颗粒是新型冠状病毒肺炎预防及轻症治疗的推荐用药,本文结合化学成分分析及活性检测,阐明其潜在的活性成分。方法:采用酶学方法测定荆防颗粒提取物对新型冠状病毒3-chymotrypsin-like protease(3CL^(pro))、papain like protea...目的:荆防颗粒是新型冠状病毒肺炎预防及轻症治疗的推荐用药,本文结合化学成分分析及活性检测,阐明其潜在的活性成分。方法:采用酶学方法测定荆防颗粒提取物对新型冠状病毒3-chymotrypsin-like protease(3CL^(pro))、papain like protease(PL^(pro))、spike protein receptor-binding domain(S-RBD)及人cyclooxygenase-2(COX-2)的抑制活性,利用氨水引咳小鼠模型测试其止咳作用;基于liquid chromatography-mass spectrometry(LC/MS)技术对荆防颗粒进行化学成分定性、定量分析,阐明其化学组成;采用酶学实验、分子对接、定点突变等方法测定荆防颗粒中抑制3CL^(pro)、PL^(pro)的主要活性成分并阐明可能的作用机制。结果:荆防颗粒提取物对新型冠状病毒3CL^(pro)、PL^(pro)蛋白酶具有一定的抑制作用,且具有COX-2抑制活性及止咳药效。进一步在荆防颗粒鉴定了56个成分,其中16个成分经与对照品比对,准确鉴定其化学结构,并测定了其含量,总量为2498.8μg/g。16个成分中的主要成分升麻素苷对3CL^(pro)和PL^(pro)均具有显著的抑制活性,8μmol/L的抑制率分别为76.8%和78.2%;新橙皮苷、柚皮苷对PL^(pro)有抑制活性,8μmol/L的抑制率分别为53.5%和46.1%。分子对接结果表明,升麻素苷可与3CL^(pro)、PL^(pro)活性口袋的氨基酸残基形成氢键,结合能分别为-7.7和-7.3 kcal/mol。定点突变结果表明,氨基酸残基K157是升麻素苷与PL^(pro)相互作用的重要活性位点。结论:荆防颗粒的主要成分升麻素苷、新橙皮苷、柚皮苷等具有抑制新型冠状病毒3CL^(pro)及PL^(pro)的活性,为荆防颗粒的临床合理使用提供了依据。展开更多
Danshen, the dried root or rhizome of Salvia miltiorrhiza Bge., is a traditional and folk medicine in Asian countries, especially in China and Japan. In this review, we summarized the recent researches of Danshen in t...Danshen, the dried root or rhizome of Salvia miltiorrhiza Bge., is a traditional and folk medicine in Asian countries, especially in China and Japan. In this review, we summarized the recent researches of Danshen in traditional uses and preparations, chemical constituents, pharmacological activities and side effects. A total of 201 compounds from Danshen have been reported, including lipophilic diterpenoids, water-soluble phenolic acids, and other constituents, which have showed various pharmacological activities, such as anti-inflammation, anti-oxidation, anti-tumor, anti-atherogenesis, and anti-diabetes. This article intends to provide novel insight information for further development of Danshen, which could be of great value to its improvement of utilization.展开更多
Kudiezi injection has been used extensively in the treatment of cerebrovascular and cardiovascular diseases. However, its therapeutic effects and underlying mechanism of action are not fully understood. The aim of the...Kudiezi injection has been used extensively in the treatment of cerebrovascular and cardiovascular diseases. However, its therapeutic effects and underlying mechanism of action are not fully understood. The aim of the present study was to clarify the protective mechanisms of Kudiezi injection on cerebral ischemic injury, using metabolomics methods. Middle cerebral artery occlusion(MCAO) was introduced in rats to build the cerebral ischemic damage. UHPLC-LTQ-Orbitrap-based analytical method was established for analysis of the metabolites. The raw mass data of all samples were normalized with Sieve 2.2 software and then introduced to orthogonal partial least squares discriminant analysis(OPLS-DA) model. Finally, 23 metabolites in plasma(15 were tentatively identified) were chosen as potential biomarkers, according to accurate mass measurements(< 5 ppm), MS/MS fragmentation patterns, and diagnostic product ions. Furthermore, on the basis of metabolic pathway analysis via metabolomics pathway analysis(Met PA), we first discovered that the protection mechanism in anti-ischemic cerebral reperfusion damage of Kudiezi injection was possibly related to the biosynthesis of phenylalanine, tyrosine, and tryptophan. The present study provided a useful approach for exploring the mechanism of ischemic stroke and evaluating the efficacy of Kudiezi injection or other traditional medicines.展开更多
Sesquiterpene lactones are considered as the major active compounds in Kudiezi injection in virtue of their special structures and activities. Herein, an analytical method was developed for rapid screening and identif...Sesquiterpene lactones are considered as the major active compounds in Kudiezi injection in virtue of their special structures and activities. Herein, an analytical method was developed for rapid screening and identification of sesquiterpene lactones in Kudiezi injection using high-performance liquid chromatography coupled with linear ion trap-orbitrap mass spectrometry(HPLC-LTQ-Orbitrap) in negative ion mode. First, two sesquiterpene lactone reference standards were analyzed to obtain their characteristic ESI-MS/MS fragmentation patterns. Second, based on extracted ion chromatography(EIC) data-mining method and characteristic fragmentation pathways analysis, sesquiterpene lactones in Kudiezi injection were rapidly screened and identified. Finally, an important parameter Clog P was adopted to discriminate the isomers of sesquiterpene lactones. As a result, 50 sesquiterpene lactones were characterized, including 9 sesquiterpene lactone aglycones, 39 sesquiterpene lactone glycosides, and 2 amino acid-sesquiterpene lactone conjugates. Among them, 13 compounds were tentatively identified as new compounds. The results demonstrated that the established method would be a rapid, effective analytical tool for screening and identification of sesquiterpene lactones in the complex system of natural medicines.展开更多
Liriope(Liliaceae) species have been used as folk medicines in Asian countries since ancient times. From Liriope plants(8 species), a total of 132 compounds(except polysaccharides) have been isolated and identified, i...Liriope(Liliaceae) species have been used as folk medicines in Asian countries since ancient times. From Liriope plants(8 species), a total of 132 compounds(except polysaccharides) have been isolated and identified, including steroidal saponins, flavonoids, phenols, and eudesmane sesquiterpenoids. The crude extracts or monomeric compounds from this genus have been shown to exhibit anti-tumor, anti-diabetic, anti-inflammatory, and neuroprotective activities. The present review summarizes the results on phytochemical and biological studies on Liriope plants. The chemotaxonomy of this genus is also discussed.展开更多
文摘目的:荆防颗粒是新型冠状病毒肺炎预防及轻症治疗的推荐用药,本文结合化学成分分析及活性检测,阐明其潜在的活性成分。方法:采用酶学方法测定荆防颗粒提取物对新型冠状病毒3-chymotrypsin-like protease(3CL^(pro))、papain like protease(PL^(pro))、spike protein receptor-binding domain(S-RBD)及人cyclooxygenase-2(COX-2)的抑制活性,利用氨水引咳小鼠模型测试其止咳作用;基于liquid chromatography-mass spectrometry(LC/MS)技术对荆防颗粒进行化学成分定性、定量分析,阐明其化学组成;采用酶学实验、分子对接、定点突变等方法测定荆防颗粒中抑制3CL^(pro)、PL^(pro)的主要活性成分并阐明可能的作用机制。结果:荆防颗粒提取物对新型冠状病毒3CL^(pro)、PL^(pro)蛋白酶具有一定的抑制作用,且具有COX-2抑制活性及止咳药效。进一步在荆防颗粒鉴定了56个成分,其中16个成分经与对照品比对,准确鉴定其化学结构,并测定了其含量,总量为2498.8μg/g。16个成分中的主要成分升麻素苷对3CL^(pro)和PL^(pro)均具有显著的抑制活性,8μmol/L的抑制率分别为76.8%和78.2%;新橙皮苷、柚皮苷对PL^(pro)有抑制活性,8μmol/L的抑制率分别为53.5%和46.1%。分子对接结果表明,升麻素苷可与3CL^(pro)、PL^(pro)活性口袋的氨基酸残基形成氢键,结合能分别为-7.7和-7.3 kcal/mol。定点突变结果表明,氨基酸残基K157是升麻素苷与PL^(pro)相互作用的重要活性位点。结论:荆防颗粒的主要成分升麻素苷、新橙皮苷、柚皮苷等具有抑制新型冠状病毒3CL^(pro)及PL^(pro)的活性,为荆防颗粒的临床合理使用提供了依据。
基金supported by the National Natural Science Foundation of China(No.81430094)Beijing Nova Program(No.Z171100001117029)
文摘Danshen, the dried root or rhizome of Salvia miltiorrhiza Bge., is a traditional and folk medicine in Asian countries, especially in China and Japan. In this review, we summarized the recent researches of Danshen in traditional uses and preparations, chemical constituents, pharmacological activities and side effects. A total of 201 compounds from Danshen have been reported, including lipophilic diterpenoids, water-soluble phenolic acids, and other constituents, which have showed various pharmacological activities, such as anti-inflammation, anti-oxidation, anti-tumor, anti-atherogenesis, and anti-diabetes. This article intends to provide novel insight information for further development of Danshen, which could be of great value to its improvement of utilization.
基金supported by Beijing Nova Program(No.Z171100001117029)the National Natural Science Foundation of China(No.81503244)
文摘Kudiezi injection has been used extensively in the treatment of cerebrovascular and cardiovascular diseases. However, its therapeutic effects and underlying mechanism of action are not fully understood. The aim of the present study was to clarify the protective mechanisms of Kudiezi injection on cerebral ischemic injury, using metabolomics methods. Middle cerebral artery occlusion(MCAO) was introduced in rats to build the cerebral ischemic damage. UHPLC-LTQ-Orbitrap-based analytical method was established for analysis of the metabolites. The raw mass data of all samples were normalized with Sieve 2.2 software and then introduced to orthogonal partial least squares discriminant analysis(OPLS-DA) model. Finally, 23 metabolites in plasma(15 were tentatively identified) were chosen as potential biomarkers, according to accurate mass measurements(< 5 ppm), MS/MS fragmentation patterns, and diagnostic product ions. Furthermore, on the basis of metabolic pathway analysis via metabolomics pathway analysis(Met PA), we first discovered that the protection mechanism in anti-ischemic cerebral reperfusion damage of Kudiezi injection was possibly related to the biosynthesis of phenylalanine, tyrosine, and tryptophan. The present study provided a useful approach for exploring the mechanism of ischemic stroke and evaluating the efficacy of Kudiezi injection or other traditional medicines.
基金supported by Beijing Nova Program(No.Z171100001117029)the National Natural Science Foundation of China(No.81503244)
文摘Sesquiterpene lactones are considered as the major active compounds in Kudiezi injection in virtue of their special structures and activities. Herein, an analytical method was developed for rapid screening and identification of sesquiterpene lactones in Kudiezi injection using high-performance liquid chromatography coupled with linear ion trap-orbitrap mass spectrometry(HPLC-LTQ-Orbitrap) in negative ion mode. First, two sesquiterpene lactone reference standards were analyzed to obtain their characteristic ESI-MS/MS fragmentation patterns. Second, based on extracted ion chromatography(EIC) data-mining method and characteristic fragmentation pathways analysis, sesquiterpene lactones in Kudiezi injection were rapidly screened and identified. Finally, an important parameter Clog P was adopted to discriminate the isomers of sesquiterpene lactones. As a result, 50 sesquiterpene lactones were characterized, including 9 sesquiterpene lactone aglycones, 39 sesquiterpene lactone glycosides, and 2 amino acid-sesquiterpene lactone conjugates. Among them, 13 compounds were tentatively identified as new compounds. The results demonstrated that the established method would be a rapid, effective analytical tool for screening and identification of sesquiterpene lactones in the complex system of natural medicines.
基金supported by the National Natural Science Foundation of China(Nos.81303206 and 81303189)
文摘Liriope(Liliaceae) species have been used as folk medicines in Asian countries since ancient times. From Liriope plants(8 species), a total of 132 compounds(except polysaccharides) have been isolated and identified, including steroidal saponins, flavonoids, phenols, and eudesmane sesquiterpenoids. The crude extracts or monomeric compounds from this genus have been shown to exhibit anti-tumor, anti-diabetic, anti-inflammatory, and neuroprotective activities. The present review summarizes the results on phytochemical and biological studies on Liriope plants. The chemotaxonomy of this genus is also discussed.
