MK-1 molecule(C_(16)H_(16)O_(2)),the simplest structure of vitamin K(VK)compound family,is an extract from traditional Chinese medicine Cymbopogon distans(Nees ex Steud.)Wats(Chinese name YunXiangCao),which has attrac...MK-1 molecule(C_(16)H_(16)O_(2)),the simplest structure of vitamin K(VK)compound family,is an extract from traditional Chinese medicine Cymbopogon distans(Nees ex Steud.)Wats(Chinese name YunXiangCao),which has attracted a great deal of attention in recent years due to its antiasthmatic,antitussives and expectorant effects.To investigate the molecular structure and chemical reactivity of MK-1 molecule,computational investigations on six conformational minima structures were carried out at the MP2/6-311++G(2d,2p)level of theory.Several local reactivity descriptors including condensed Fukui function,average local ionization energy,and molecular electrostatic potential on each individual atom were determined to predict the intrinsic reactivity of MK-1 molecule.展开更多
A specialty database has been established at The Hong Kong University of Science and Technology to handle the chemical and biological data of medicinal plants and other natural products from scientific literatures. De...A specialty database has been established at The Hong Kong University of Science and Technology to handle the chemical and biological data of medicinal plants and other natural products from scientific literatures. Designed as a relational system capable of analyzing, comparing, and correlating data, the system can retrieve information in assimilated tabular formats. The database can provide information supports to researchers in the fields of medicinal chemistry, biochemistry, pharmacology, botany and other disciplines of natural products research.展开更多
The ultrasonic nebulization extraction(UNE) was developed and applied to the extraction of volatile components from traditional Chinese patent medicine Xiaoyao Pills. Several parameters of ultrasonic nebulization ex...The ultrasonic nebulization extraction(UNE) was developed and applied to the extraction of volatile components from traditional Chinese patent medicine Xiaoyao Pills. Several parameters of ultrasonic nebulization extraction including the sample particle size, solvent volume, extraction time and ultrasonic power were studied and selected. As a result, 2.4 g of sample with particle size of 80 mesh was extracted with 15 mL of n-hexane for 20 min at an ultrasonic power of 35 W. The volatile components were analyzed by gas chromatography-mass spectrometry (GC-MS) under the optimal conditions and 57 compounds were identified. The precision, repeatability and stability of the proposed method were also studied. Compared with ultrasonic-assisted extraction(UAE) and hydrodistillation(HD) extraction, the proposed method is more efficient, faster and easier to be operated at room temperature with smaller sample and energy consumption. It is suggested that the ultrasonic nebulization extraction can be used as a novel alternative method for the extraction of volatile components from traditional Chinese patent medicine.展开更多
Traditional Chinese Medicine prescription Suanzaoren decoction (SZRD) is composed of Ziziphi Spinosae Semen, Chuanxiong Rhizoma, Anemarrhenae rhizoma, Poria and Licorice. It was used to treat central nervous system di...Traditional Chinese Medicine prescription Suanzaoren decoction (SZRD) is composed of Ziziphi Spinosae Semen, Chuanxiong Rhizoma, Anemarrhenae rhizoma, Poria and Licorice. It was used to treat central nervous system diseases such as insomnia and anxiety for thousands of years. This paper aims to systematically understand varieties and quantities of compounds and clarify chemical components of SZRD, subsequently to further provide the reference for phytochemistry and pharmacology researches of SZRD. Our results showed that SZRD contained 145 components, including flavonoids, triterpenoids, steroids, coumarins, phthalides, and volatile oils, etc., while five-single herbs contain 1104 components. Only in terms of compound number, there were 80 common components in SZRD and its five herbs, which accounted for 6.8% of total compounds in all 5 herbs and 55.2% of compounds in SZRD. The components of SZRD were not simply the sum of one in every single herb. It is necessary to perform parallel studies among SZRD and its herbs. This review discussed the problems that existed in the chemical research of SZRD and pointed out the direction for its further research.展开更多
In China, traditional Chinese medicines (TCMs) have been used in clinical applications for thousands of years. The successful hyphenation of high-performance liquid chromatography (HPLC) and mass spectrometry (MS...In China, traditional Chinese medicines (TCMs) have been used in clinical applications for thousands of years. The successful hyphenation of high-performance liquid chromatography (HPLC) and mass spectrometry (MS) has been applied widely in TCMs and biological samples analysis. Undoubtedly, HPLC/MS technique has facilitated the understanding of the treatment mechanism of TCMs. We reviewed more than 350 published papers within the last 5 years on HPLC/MS in the analysis of TCMs. The present review focused on the applications of HPLC/MS in the component analysis, metabolites analysis, and pharmacokinetics of TCMs etc. 50% of the literature is related to the component analysis of TCMs, which show that this field is the most popular type of research. In the metabolites analysis, HPLC coupled with electrospray ionization quadrupole time-of-flight tandem mass spectrometry has been demonstrated to be the powerful tool for the characterization of structural features and fragmentation behavior patterns. This paper presented a brief overview of the applications of HPLC/MS in the analysis of TCMs. HPLC/MS in the fingerprint analysis is reviewed elsewhere.展开更多
GuiLingJi(GLJ),a classic traditional Chinese medicine(TCM)formula,is composed of over 20 herbs,according to the Pharmacopeia of the People's Republic of China.Owing to its various activities,GLJ has been used in c...GuiLingJi(GLJ),a classic traditional Chinese medicine(TCM)formula,is composed of over 20 herbs,according to the Pharmacopeia of the People's Republic of China.Owing to its various activities,GLJ has been used in clinical settings for more than 400 years in China.However,the ambiguous chemical material basis limits the development of studies on the quality control and pharmacological mechanisms of GLJ.Therefore,comprehensive characterization of the multiple chemical components of GLJ is of great significance for the modernization of this formula.Given the great variety of herbs in GLJ,both UHPLCMS and ^(1)H NMR techniques were employed in this study.In addition,solvent extraction with different polarities was used to eliminate signal interference and the concentration of trace components.A variety of MS analytic methods were also used,including implementation of a self-built compound database,diagnostic ion filtering,mass defect filtering,and Compound Discoverer 3.0 analysis software.Based on the above strategies,a total of 150 compounds were identified,including 5 amino acids,13 phenolic acids and glycosides,11 coumarins,72 flavones,20 triterpenoid and triterpenoid saponins,23 fatty acids,and 6 other compounds.Moreover,13 compounds were identified by ^(1)H NMR spectroscopy.The UHPLC-MS and ^(1)H NMR results supported and complemented each other.This strategy provides a rapid approach to analyzing and identifying the chemical composition of Chinese herbal prescriptions.The current study provides basis for further research on the quality control and pharmacological mechanism of GLJ.展开更多
isTraditional Chinese medicine(TCM)is a highly complex chemical substance system,which not only reflected in the complexity of the chemical components and their interrelationships,but also in the intricacy of the pres...isTraditional Chinese medicine(TCM)is a highly complex chemical substance system,which not only reflected in the complexity of the chemical components and their interrelationships,but also in the intricacy of the prescription’s connection with the human body.Component compatibility strategy has been proposed for developing modern TCM since 2005 and established comprehensive relevant technologies and research approaches.Moreover,to meet the safety and efficacy of current pharmaceuticals,research on fixed-dose combination drugs is directed by modern scientific theories,conforms to TCM compatibility principles and clarifies material basis and pharmacological mechanisms and component-effect correlations.This review summarized gaps and feasibility of fixed-dose combination strategy in the development of modern TCM research and assessed their advantages and disadvantages in light of contemporary drug combination research practices.展开更多
The incidence and mortality of lung cancer rank first among all malignant tumors,so the prevention and treatment of lung cancer has become a worldwide concern.Tea is one of the most popular healthy drinks in the world...The incidence and mortality of lung cancer rank first among all malignant tumors,so the prevention and treatment of lung cancer has become a worldwide concern.Tea is one of the most popular healthy drinks in the world.A large number of studies have shown that tea polyphenols,theophylline,tea pigments,theanine,tea polysaccharides and other functional components in tea can promote apoptosis of cancer cells,inhibit proliferation and division of cancer cells,and regulate the expression of tumor-related gene protein through strong antioxidant activity,inhibiting the activity of key enzymes and blocking signal transduction to prevent and treat the occurrence,development and metastasis of lung cancer.In this study,the application of tea in the prevention and treatment of lung cancer was elaborated through the traceability,basic components,basic theory of traditional Chinese medicine,anti-lung cancer mechanism,expert opinions and so on,in order to provide direction for the prevention and treatment of tea and lung cancer.展开更多
Herbal medicine(HM)has been extensively researched and widely used since ancient times.Currently,as one of the emerging directions in HM modernization research,herbal medicine-derived nanovesicles(HMDNV),a type of nan...Herbal medicine(HM)has been extensively researched and widely used since ancient times.Currently,as one of the emerging directions in HM modernization research,herbal medicine-derived nanovesicles(HMDNV),a type of nanoparticle obtained from destructed plant tissues,hold considerable promise for disease treatment and drug delivery.The recent studies related to HMDNV and miRNAs are summarized in this review,with a special emphasis on their basic characteristics and biological activities,to provide ideas for future scientific research on HMDNV and enrich the content of active components of Traditional Chinese Medicine(TCM).展开更多
After thousands of years of development, traditional Chinese medicines (TCMs) have evolved into a complete scientific system characterized by multiple components, targets, and pathways, which mediates numerous pharm...After thousands of years of development, traditional Chinese medicines (TCMs) have evolved into a complete scientific system characterized by multiple components, targets, and pathways, which mediates numerous pharmacological activities and efficacies. The development of "-omics" technology, including systems biology and network pharmacology, has enabled the illustration of TCMs from a more systematic view. Although the network adequately reflects the overall philosophy of TCMs, its complexity hinders the relevant research to a hover. In addition, the strategies involved appear to be in contrast to the original concise and efficacious disease therapy oriented focus on classic Chinese material medica (CMM). Based on the established holistic view and reductionism, in this review, we discuss an integrated systems biology and chemical biology research approach that will facilitate and accelerate the understanding of the mechanisms of TCMs. Furthermore, we are optimistic that it will elucidate the associated interactions between active natural products and their targets, and ultimately improve the strategies for complex disease therapies.展开更多
Biomimetic nanoengineering presents great potential in biomedical research by integrating cell membrane(CM) with functional nanoparticles. However, preparation of CM biomimetic nanomaterials for custom applications th...Biomimetic nanoengineering presents great potential in biomedical research by integrating cell membrane(CM) with functional nanoparticles. However, preparation of CM biomimetic nanomaterials for custom applications that can avoid the aggregation of nanocarriers while maintaining the biological activity of CM remains a challenge. Herein, a high-performance CM biomimetic graphene nanodecoy was fabricated via purposeful surface engineering, where polyethylene glycol(PEG) was used to modifying magnetic graphene oxide(MGO) to improve its stability in physiological solution, so as to improve the screening efficiency to active components of traditional Chinese medicine(TCM). With this strategy, the constructed PEGylated MGO(PMGO) could keep stable at least 10 days, thus improving the CM coating efficiency. Meanwhile, by taking advantage of the inherent ability of He La cell membrane(HM) to interact with specific ligands, HM-camouflaged PMGO showed satisfied adsorption capacity(116.2 mg/g) and selectivity. Finally, three potential active components, byakangelicol, imperatorin,and isoimperatorin, were screened from Angelica dahurica, whose potential antiproliferative activity were further validated by pharmacological studies. These results demonstrated that the purposeful surfaceengineering is a promising strategy for the design of efficient CM biomimetic nanomaterials, which will promote the development of active components screening in TCM.展开更多
Traditional Chinese medicine(TCM)for anti-abortion is based on the theory of gynecology of TCM,which aims to prevent and treat abdominal pain during pregnancy,fetal leakage,uneasy fetal movement,and fetal atrophy.Beca...Traditional Chinese medicine(TCM)for anti-abortion is based on the theory of gynecology of TCM,which aims to prevent and treat abdominal pain during pregnancy,fetal leakage,uneasy fetal movement,and fetal atrophy.Because of the complexity of the ingredients of Chinese Materia Medica,and the imprecise intervention mechanism for tocolysis,further investigation about the effects of Chinese herbs and their components on tocolysis by utilizing advanced technologies is required to be made.All the information available about TCM and its effects on pregnant women and fetuses was collected via electronic search using Web of Science,PubMed,and CNKI,and a library search was performed to locate classic herbal medicine books.The active ingredients in TCM were screened with the help of Traditional chinese medicine systems pharmacology database and analysis platform(TCMSP).The keywords being used included herbal names,pharmacology,pregnancy,threatened abortion,and fetus.Modern pharmacological studies have shown that TCM mainly prevents threatened abortion by a direct effect on the pregnant woman’s immune system,sex hormones such as estrogen and progesterone,the uterus and the endometrium,and the decidual tissue such as the placenta.It may also address pregnancy complications due to advanced maternal age,infection,polycystic ovary syndrome,diabetes,and mental disorders caused by threat of a miscarriage.TCM protects against spontaneous miscarriage,but its mechanisms are largely unknown.This research applies scientific methods to characterize and examine the effective components of TCM and their application to lower the risk of abortion to the pregnant women and fetuses.展开更多
文摘MK-1 molecule(C_(16)H_(16)O_(2)),the simplest structure of vitamin K(VK)compound family,is an extract from traditional Chinese medicine Cymbopogon distans(Nees ex Steud.)Wats(Chinese name YunXiangCao),which has attracted a great deal of attention in recent years due to its antiasthmatic,antitussives and expectorant effects.To investigate the molecular structure and chemical reactivity of MK-1 molecule,computational investigations on six conformational minima structures were carried out at the MP2/6-311++G(2d,2p)level of theory.Several local reactivity descriptors including condensed Fukui function,average local ionization energy,and molecular electrostatic potential on each individual atom were determined to predict the intrinsic reactivity of MK-1 molecule.
文摘A specialty database has been established at The Hong Kong University of Science and Technology to handle the chemical and biological data of medicinal plants and other natural products from scientific literatures. Designed as a relational system capable of analyzing, comparing, and correlating data, the system can retrieve information in assimilated tabular formats. The database can provide information supports to researchers in the fields of medicinal chemistry, biochemistry, pharmacology, botany and other disciplines of natural products research.
基金Supported by the Basic Research Foundation from Jilin University China(No.200903131)
文摘The ultrasonic nebulization extraction(UNE) was developed and applied to the extraction of volatile components from traditional Chinese patent medicine Xiaoyao Pills. Several parameters of ultrasonic nebulization extraction including the sample particle size, solvent volume, extraction time and ultrasonic power were studied and selected. As a result, 2.4 g of sample with particle size of 80 mesh was extracted with 15 mL of n-hexane for 20 min at an ultrasonic power of 35 W. The volatile components were analyzed by gas chromatography-mass spectrometry (GC-MS) under the optimal conditions and 57 compounds were identified. The precision, repeatability and stability of the proposed method were also studied. Compared with ultrasonic-assisted extraction(UAE) and hydrodistillation(HD) extraction, the proposed method is more efficient, faster and easier to be operated at room temperature with smaller sample and energy consumption. It is suggested that the ultrasonic nebulization extraction can be used as a novel alternative method for the extraction of volatile components from traditional Chinese patent medicine.
文摘Traditional Chinese Medicine prescription Suanzaoren decoction (SZRD) is composed of Ziziphi Spinosae Semen, Chuanxiong Rhizoma, Anemarrhenae rhizoma, Poria and Licorice. It was used to treat central nervous system diseases such as insomnia and anxiety for thousands of years. This paper aims to systematically understand varieties and quantities of compounds and clarify chemical components of SZRD, subsequently to further provide the reference for phytochemistry and pharmacology researches of SZRD. Our results showed that SZRD contained 145 components, including flavonoids, triterpenoids, steroids, coumarins, phthalides, and volatile oils, etc., while five-single herbs contain 1104 components. Only in terms of compound number, there were 80 common components in SZRD and its five herbs, which accounted for 6.8% of total compounds in all 5 herbs and 55.2% of compounds in SZRD. The components of SZRD were not simply the sum of one in every single herb. It is necessary to perform parallel studies among SZRD and its herbs. This review discussed the problems that existed in the chemical research of SZRD and pointed out the direction for its further research.
基金supported by the National Natural Science Foundation of China(No.30873193and No.81073038)
文摘In China, traditional Chinese medicines (TCMs) have been used in clinical applications for thousands of years. The successful hyphenation of high-performance liquid chromatography (HPLC) and mass spectrometry (MS) has been applied widely in TCMs and biological samples analysis. Undoubtedly, HPLC/MS technique has facilitated the understanding of the treatment mechanism of TCMs. We reviewed more than 350 published papers within the last 5 years on HPLC/MS in the analysis of TCMs. The present review focused on the applications of HPLC/MS in the component analysis, metabolites analysis, and pharmacokinetics of TCMs etc. 50% of the literature is related to the component analysis of TCMs, which show that this field is the most popular type of research. In the metabolites analysis, HPLC coupled with electrospray ionization quadrupole time-of-flight tandem mass spectrometry has been demonstrated to be the powerful tool for the characterization of structural features and fragmentation behavior patterns. This paper presented a brief overview of the applications of HPLC/MS in the analysis of TCMs. HPLC/MS in the fingerprint analysis is reviewed elsewhere.
基金support from the Shanxi Provincial Science and Technology Key Research and Development Plan(Grant Nos.:201603D3113006 and 201903D311012)。
文摘GuiLingJi(GLJ),a classic traditional Chinese medicine(TCM)formula,is composed of over 20 herbs,according to the Pharmacopeia of the People's Republic of China.Owing to its various activities,GLJ has been used in clinical settings for more than 400 years in China.However,the ambiguous chemical material basis limits the development of studies on the quality control and pharmacological mechanisms of GLJ.Therefore,comprehensive characterization of the multiple chemical components of GLJ is of great significance for the modernization of this formula.Given the great variety of herbs in GLJ,both UHPLCMS and ^(1)H NMR techniques were employed in this study.In addition,solvent extraction with different polarities was used to eliminate signal interference and the concentration of trace components.A variety of MS analytic methods were also used,including implementation of a self-built compound database,diagnostic ion filtering,mass defect filtering,and Compound Discoverer 3.0 analysis software.Based on the above strategies,a total of 150 compounds were identified,including 5 amino acids,13 phenolic acids and glycosides,11 coumarins,72 flavones,20 triterpenoid and triterpenoid saponins,23 fatty acids,and 6 other compounds.Moreover,13 compounds were identified by ^(1)H NMR spectroscopy.The UHPLC-MS and ^(1)H NMR results supported and complemented each other.This strategy provides a rapid approach to analyzing and identifying the chemical composition of Chinese herbal prescriptions.The current study provides basis for further research on the quality control and pharmacological mechanism of GLJ.
文摘isTraditional Chinese medicine(TCM)is a highly complex chemical substance system,which not only reflected in the complexity of the chemical components and their interrelationships,but also in the intricacy of the prescription’s connection with the human body.Component compatibility strategy has been proposed for developing modern TCM since 2005 and established comprehensive relevant technologies and research approaches.Moreover,to meet the safety and efficacy of current pharmaceuticals,research on fixed-dose combination drugs is directed by modern scientific theories,conforms to TCM compatibility principles and clarifies material basis and pharmacological mechanisms and component-effect correlations.This review summarized gaps and feasibility of fixed-dose combination strategy in the development of modern TCM research and assessed their advantages and disadvantages in light of contemporary drug combination research practices.
文摘The incidence and mortality of lung cancer rank first among all malignant tumors,so the prevention and treatment of lung cancer has become a worldwide concern.Tea is one of the most popular healthy drinks in the world.A large number of studies have shown that tea polyphenols,theophylline,tea pigments,theanine,tea polysaccharides and other functional components in tea can promote apoptosis of cancer cells,inhibit proliferation and division of cancer cells,and regulate the expression of tumor-related gene protein through strong antioxidant activity,inhibiting the activity of key enzymes and blocking signal transduction to prevent and treat the occurrence,development and metastasis of lung cancer.In this study,the application of tea in the prevention and treatment of lung cancer was elaborated through the traceability,basic components,basic theory of traditional Chinese medicine,anti-lung cancer mechanism,expert opinions and so on,in order to provide direction for the prevention and treatment of tea and lung cancer.
基金supported by the Tianjin Committee of Science and Technology of China(No.21ZYJDJC00080 and No.22ZYJDSS00040).
文摘Herbal medicine(HM)has been extensively researched and widely used since ancient times.Currently,as one of the emerging directions in HM modernization research,herbal medicine-derived nanovesicles(HMDNV),a type of nanoparticle obtained from destructed plant tissues,hold considerable promise for disease treatment and drug delivery.The recent studies related to HMDNV and miRNAs are summarized in this review,with a special emphasis on their basic characteristics and biological activities,to provide ideas for future scientific research on HMDNV and enrich the content of active components of Traditional Chinese Medicine(TCM).
基金National Natural Science Foundation of China(No.81373506,81374046,81303291,81430095,81473403)State Key Program of National Natural Science of China(No.81430095)
文摘After thousands of years of development, traditional Chinese medicines (TCMs) have evolved into a complete scientific system characterized by multiple components, targets, and pathways, which mediates numerous pharmacological activities and efficacies. The development of "-omics" technology, including systems biology and network pharmacology, has enabled the illustration of TCMs from a more systematic view. Although the network adequately reflects the overall philosophy of TCMs, its complexity hinders the relevant research to a hover. In addition, the strategies involved appear to be in contrast to the original concise and efficacious disease therapy oriented focus on classic Chinese material medica (CMM). Based on the established holistic view and reductionism, in this review, we discuss an integrated systems biology and chemical biology research approach that will facilitate and accelerate the understanding of the mechanisms of TCMs. Furthermore, we are optimistic that it will elucidate the associated interactions between active natural products and their targets, and ultimately improve the strategies for complex disease therapies.
基金National Natural Science Foundation of China(Nos.82073807 and 81973277)the WorldClass Universities(Disciplines)and the Characteristic Development Guidance Funds for the Central Universities(No.PY3A012,China)for financial support。
文摘Biomimetic nanoengineering presents great potential in biomedical research by integrating cell membrane(CM) with functional nanoparticles. However, preparation of CM biomimetic nanomaterials for custom applications that can avoid the aggregation of nanocarriers while maintaining the biological activity of CM remains a challenge. Herein, a high-performance CM biomimetic graphene nanodecoy was fabricated via purposeful surface engineering, where polyethylene glycol(PEG) was used to modifying magnetic graphene oxide(MGO) to improve its stability in physiological solution, so as to improve the screening efficiency to active components of traditional Chinese medicine(TCM). With this strategy, the constructed PEGylated MGO(PMGO) could keep stable at least 10 days, thus improving the CM coating efficiency. Meanwhile, by taking advantage of the inherent ability of He La cell membrane(HM) to interact with specific ligands, HM-camouflaged PMGO showed satisfied adsorption capacity(116.2 mg/g) and selectivity. Finally, three potential active components, byakangelicol, imperatorin,and isoimperatorin, were screened from Angelica dahurica, whose potential antiproliferative activity were further validated by pharmacological studies. These results demonstrated that the purposeful surfaceengineering is a promising strategy for the design of efficient CM biomimetic nanomaterials, which will promote the development of active components screening in TCM.
基金supported by the National Nature Science Foundation of China(Grant Number 81741016,31971108)。
文摘Traditional Chinese medicine(TCM)for anti-abortion is based on the theory of gynecology of TCM,which aims to prevent and treat abdominal pain during pregnancy,fetal leakage,uneasy fetal movement,and fetal atrophy.Because of the complexity of the ingredients of Chinese Materia Medica,and the imprecise intervention mechanism for tocolysis,further investigation about the effects of Chinese herbs and their components on tocolysis by utilizing advanced technologies is required to be made.All the information available about TCM and its effects on pregnant women and fetuses was collected via electronic search using Web of Science,PubMed,and CNKI,and a library search was performed to locate classic herbal medicine books.The active ingredients in TCM were screened with the help of Traditional chinese medicine systems pharmacology database and analysis platform(TCMSP).The keywords being used included herbal names,pharmacology,pregnancy,threatened abortion,and fetus.Modern pharmacological studies have shown that TCM mainly prevents threatened abortion by a direct effect on the pregnant woman’s immune system,sex hormones such as estrogen and progesterone,the uterus and the endometrium,and the decidual tissue such as the placenta.It may also address pregnancy complications due to advanced maternal age,infection,polycystic ovary syndrome,diabetes,and mental disorders caused by threat of a miscarriage.TCM protects against spontaneous miscarriage,but its mechanisms are largely unknown.This research applies scientific methods to characterize and examine the effective components of TCM and their application to lower the risk of abortion to the pregnant women and fetuses.