Objective To develop a model based on a graph convolutional network(GCN)to achieve ef-ficient classification of the cold and hot medicinal properties of Chinese herbal medicines(CHMs).Methods After screening the datas...Objective To develop a model based on a graph convolutional network(GCN)to achieve ef-ficient classification of the cold and hot medicinal properties of Chinese herbal medicines(CHMs).Methods After screening the dataset provided in the published literature,this study includ-ed 495 CHMs and their 8075 compounds.Three molecular descriptors were used to repre-sent the compounds:the molecular access system(MACCS),extended connectivity finger-print(ECFP),and two-dimensional(2D)molecular descriptors computed by the RDKit open-source toolkit(RDKit_2D).A homogeneous graph with CHMs as nodes was constructed and a classification model for the cold and hot medicinal properties of CHMs was developed based on a GCN using the molecular descriptor information of the compounds as node features.Fi-nally,using accuracy and F1 score to evaluate model performance,the GCN model was ex-perimentally compared with the traditional machine learning approaches,including decision tree(DT),random forest(RF),k-nearest neighbor(KNN),Naïve Bayes classifier(NBC),and support vector machine(SVM).MACCS,ECFP,and RDKit_2D molecular descriptors were al-so adopted as features for comparison.Results The experimental results show that the GCN achieved better performance than the traditional machine learning approach when using MACCS as features,with the accuracy and F1 score reaching 0.8364 and 0.8453,respectively.The accuracy and F1 score have increased by 0.8690 and 0.8120,respectively,compared with the lowest performing feature combina-tion OMER(only the combination of MACCS,ECFP,and RDKit_2D).The accuracy and F1 score of DT,RF,KNN,NBC,and SVM are 0.5051 and 0.5018,0.6162 and 0.6015,0.6768 and 0.6243,0.6162 and 0.6071,0.6364 and 0.6225,respectively.Conclusion In this study,by introducing molecular descriptors as features,it is verified that molecular descriptors and fingerprints play a key role in classifying the cold and hot medici-nal properties of CHMs.Meanwhile,excellent classification performance was achieved using the GCN model,providing an important algorithmic basis for the in-depth study of the“struc-ture-property”relationship of CHMs.展开更多
Stroke is one of the leading causes of death and disability in adults worldwide,resulting in huge social and financial burdens.Extracts from herbs,especially those used in Chinese medicine,have emerged as new pharmace...Stroke is one of the leading causes of death and disability in adults worldwide,resulting in huge social and financial burdens.Extracts from herbs,especially those used in Chinese medicine,have emerged as new pharmaceuticals for stroke treatment.Here we review the evidence from preclinical studies investigating neuroprotective properties of Chinese medicinal compounds through their application in acute and subacute phases of ischemic stroke,and highlight potential mechanisms underlying their therapeutic effects.It is noteworthy that many herbal compounds have been shown to target multiple mechanisms and in combinations may exert synergistic effects on signaling pathways,thereby attenuating multiple aspects of ischemic pathology.We conclude the paper with a general discussion of the prospects for novel natural compound-based regimens against stroke.展开更多
[Objectives]To explore the effects of nano compound Chinese herbal medicine feed additive on growth performance,meat quality and disease resistance of chickens.[Methods]Chickens were fed with nano compound Chinese her...[Objectives]To explore the effects of nano compound Chinese herbal medicine feed additive on growth performance,meat quality and disease resistance of chickens.[Methods]Chickens were fed with nano compound Chinese herbal medicine feed additive developed by Hunan Polytechnic of Environment and Biology,including 120 chickens in the treatment group and 120 chickens in the control group(CK).The growth performance indices(body weight gain,feed to gain ratio and slaughter index),meat quality indices(pH value,color,drip loss,shear force)and disease resistance indices(morbidity and mortality)of the chickens in the treatment and CK groups were recorded and determined,respectively.[Results]The inclusion of 2%nano compound Chinese herbal medicine feed additive in the diet significantly increased the growth rate,reduced the feed-to-gain ratio and improved the meat quality of the chickens.Supplementing Chinese herbal medicine could increase the pH value and reduce the drip loss and shear force of chicken meat.At the same time,the body's immune function,antioxidant level and resistance against diseases of the chickens fed with nano compound Chinese herbal medicine feed additive were improved.[Conclusions]The inclusion of nano compound Chinese herbal medicine feed additive in the diet can improve the growth performance,meat quality and disease resistance of chickens.展开更多
Serum pharmacochemistry of traditional Chinese medicine has become a more accurate and rapidly developing reasonable way to analyze the effective material basis of traditional Chinese medicine in recent years. Through...Serum pharmacochemistry of traditional Chinese medicine has become a more accurate and rapidly developing reasonable way to analyze the effective material basis of traditional Chinese medicine in recent years. Through this method, we can select very complex Chinese medicine components and clarify the effective substances consistent with the main functions, and then separate and purify effective ingredients in traditional Chinese medicine, so as to explain the material basis of the drug effect and prove the rationality and principle of action of Chinese medicine compounds. It can show the multi-component and multi-target characteristic of traditional Chinese medicine, and after analyzing the migrating components of serum, we can explore the direct effective substances that act on the patient’s body, so as to accelerate and accurately complete the in-depth study of the effective substances of Chinese medicine.展开更多
Hyperlipidemia （HLP） is the No.1 risk factor for patients with atherosclerosis （AS） and is directly related to the occurrence of coronary artery disease （CAD） and cerebrovascular disease. Therefore, prevention a...Hyperlipidemia （HLP） is the No.1 risk factor for patients with atherosclerosis （AS） and is directly related to the occurrence of coronary artery disease （CAD） and cerebrovascular disease. Therefore, prevention and treatment of AS is of great importance and of practical significance in controlling the incidence and mortality of CAD. With its peculiar syndrome-dependent therapy, traditional Chinese medicine （TCM） has accumulated abundant practical experiences in this field and good clinical effects have been achieved. Chinese herbal medicine, with its particularly unique advantages and high potentials yet to be tapped, displays its huge strength in HLP prevention and treatment. The progress of studies concerning prevention and treatment of HLP by Chinese herbal medicines, in the form of monomers or compound recipes, is reviewed in this paper.展开更多
As a series of and continuous publication,the papers published on Chinese Traditional and Herbal Drugs in 2010 were selectively and briefly highlighted to reflect the new progress on modern research of Chinese herbal ...As a series of and continuous publication,the papers published on Chinese Traditional and Herbal Drugs in 2010 were selectively and briefly highlighted to reflect the new progress on modern research of Chinese herbal medicines.Within 617 articles,chemical constituents(127),pharmaceutics and technology(149),pharmacological studies and clinical observation,and medicinal materials are still major categories.Some comments have also been personally provided.展开更多
Traditional Chinese medicine,as a complementary and alternative medicine,has been practiced for thousands of years in China and possesses remarkable clinical efficacy.Thus,systematic analysis and examination of the me...Traditional Chinese medicine,as a complementary and alternative medicine,has been practiced for thousands of years in China and possesses remarkable clinical efficacy.Thus,systematic analysis and examination of the mechanistic links between Chinese herbal medicine(CHM)and the complex human body can benefit contemporary understandings by carrying out qualitative and quantitative analysis.With increasing attention,the approach of network pharmacology has begun to unveil the mystery of CHM by constructing the heterogeneous network relationship of“herb-compound-target-pathway,”which corresponds to the holistic mechanisms of CHM.By integrating computational techniques into network pharmacology,the efficiency and accuracy of active compound screening and target fishing have been improved at an unprecedented pace.This review dissects the core innovations to the network pharmacology approach that were developed in the years since 2015 and highlights how this tool has been applied to understanding the coronavirus disease 2019 and refining the clinical use of CHM to combat it.展开更多
<em>Prunella vulgaris</em> (PV) is a perennial plant which is widely grown around the world. It has been widely used as a medicinal treatment for generations. Previous studies showed extracts from this pla...<em>Prunella vulgaris</em> (PV) is a perennial plant which is widely grown around the world. It has been widely used as a medicinal treatment for generations. Previous studies showed extracts from this plant had a wide range of therapeutic efficacy, including anti-tumorous effect. However, the volatile organic compounds (VOCs) extracted from it were rarely explored. This paper reports on the characterization of a steam distillation process to extract VOCs in PV and also the anti-tumorous effects of the PV distillate using the tetrazolium-based Cell Counting Kit-8 (CCK-8) as the test agent, when the VOCs were used to treat oral squamous cancer cells, SSC154. It was found that most abundant VOCs came out steadily and continuously for as long as the duration of the steam extraction could extend. However, some compounds such as benzaldehyde did show depletion as the distillation process progressed, while some compounds such as caryophyllene oxide was only sparsely found at the beginning of distillation. The PV distillate was mildly effective in its cytotoxicity to cancer cells SCC154, in a dosage dependent manner.展开更多
基金Hunan Provincial Natural Science Foundation(2022JJ30438)Natural Science Foundation of Changsha(kq2202260)Hunan Province Traditional Chinese Medicine Research Project(B2023039).
文摘Objective To develop a model based on a graph convolutional network(GCN)to achieve ef-ficient classification of the cold and hot medicinal properties of Chinese herbal medicines(CHMs).Methods After screening the dataset provided in the published literature,this study includ-ed 495 CHMs and their 8075 compounds.Three molecular descriptors were used to repre-sent the compounds:the molecular access system(MACCS),extended connectivity finger-print(ECFP),and two-dimensional(2D)molecular descriptors computed by the RDKit open-source toolkit(RDKit_2D).A homogeneous graph with CHMs as nodes was constructed and a classification model for the cold and hot medicinal properties of CHMs was developed based on a GCN using the molecular descriptor information of the compounds as node features.Fi-nally,using accuracy and F1 score to evaluate model performance,the GCN model was ex-perimentally compared with the traditional machine learning approaches,including decision tree(DT),random forest(RF),k-nearest neighbor(KNN),Naïve Bayes classifier(NBC),and support vector machine(SVM).MACCS,ECFP,and RDKit_2D molecular descriptors were al-so adopted as features for comparison.Results The experimental results show that the GCN achieved better performance than the traditional machine learning approach when using MACCS as features,with the accuracy and F1 score reaching 0.8364 and 0.8453,respectively.The accuracy and F1 score have increased by 0.8690 and 0.8120,respectively,compared with the lowest performing feature combina-tion OMER(only the combination of MACCS,ECFP,and RDKit_2D).The accuracy and F1 score of DT,RF,KNN,NBC,and SVM are 0.5051 and 0.5018,0.6162 and 0.6015,0.6768 and 0.6243,0.6162 and 0.6071,0.6364 and 0.6225,respectively.Conclusion In this study,by introducing molecular descriptors as features,it is verified that molecular descriptors and fingerprints play a key role in classifying the cold and hot medici-nal properties of CHMs.Meanwhile,excellent classification performance was achieved using the GCN model,providing an important algorithmic basis for the in-depth study of the“struc-ture-property”relationship of CHMs.
基金supported by AHA Award 14SDG20480186(to LC)Kentucky Spinal Cord&Head Injury Research Trust Grant 14-12A(to KES)Startup Funds from Shaanxi University of Chinese Medicine to Young Investigators(1410170078)(to BZ)
文摘Stroke is one of the leading causes of death and disability in adults worldwide,resulting in huge social and financial burdens.Extracts from herbs,especially those used in Chinese medicine,have emerged as new pharmaceuticals for stroke treatment.Here we review the evidence from preclinical studies investigating neuroprotective properties of Chinese medicinal compounds through their application in acute and subacute phases of ischemic stroke,and highlight potential mechanisms underlying their therapeutic effects.It is noteworthy that many herbal compounds have been shown to target multiple mechanisms and in combinations may exert synergistic effects on signaling pathways,thereby attenuating multiple aspects of ischemic pathology.We conclude the paper with a general discussion of the prospects for novel natural compound-based regimens against stroke.
基金Project of Hunan Province for Science of Education during 13th Five-Year Plan Period[XJK18BZY066]Hengyang Social Science Foundation Project[2017B(1)010].
文摘[Objectives]To explore the effects of nano compound Chinese herbal medicine feed additive on growth performance,meat quality and disease resistance of chickens.[Methods]Chickens were fed with nano compound Chinese herbal medicine feed additive developed by Hunan Polytechnic of Environment and Biology,including 120 chickens in the treatment group and 120 chickens in the control group(CK).The growth performance indices(body weight gain,feed to gain ratio and slaughter index),meat quality indices(pH value,color,drip loss,shear force)and disease resistance indices(morbidity and mortality)of the chickens in the treatment and CK groups were recorded and determined,respectively.[Results]The inclusion of 2%nano compound Chinese herbal medicine feed additive in the diet significantly increased the growth rate,reduced the feed-to-gain ratio and improved the meat quality of the chickens.Supplementing Chinese herbal medicine could increase the pH value and reduce the drip loss and shear force of chicken meat.At the same time,the body's immune function,antioxidant level and resistance against diseases of the chickens fed with nano compound Chinese herbal medicine feed additive were improved.[Conclusions]The inclusion of nano compound Chinese herbal medicine feed additive in the diet can improve the growth performance,meat quality and disease resistance of chickens.
基金Supported by University Continuing Education Teaching Reform Project(2019jxjj67)Provincial quality engineering project of"Traditional Chinese Medicine Technique and Skilled Master Studio"of Anhui Provincial Department of Education in 2020(2020dsgzs23)+3 种基金Key Natural Science Research Project of Higher Learning Institutions in Anhui Province in 2018(KJ2018A0884)Key Natural Science Research Projects of Colleges and Universities in Anhui Province in 2020(KJ2020A1014)Key Project of 2020 Applied Technology Research and Collaborative Innovation Center of Bozhou Vocational and Technical College(BZZX202001)Key Research Project of Bozhou Vocational and Technical College in 2020(BYK2002)。
文摘Serum pharmacochemistry of traditional Chinese medicine has become a more accurate and rapidly developing reasonable way to analyze the effective material basis of traditional Chinese medicine in recent years. Through this method, we can select very complex Chinese medicine components and clarify the effective substances consistent with the main functions, and then separate and purify effective ingredients in traditional Chinese medicine, so as to explain the material basis of the drug effect and prove the rationality and principle of action of Chinese medicine compounds. It can show the multi-component and multi-target characteristic of traditional Chinese medicine, and after analyzing the migrating components of serum, we can explore the direct effective substances that act on the patient’s body, so as to accelerate and accurately complete the in-depth study of the effective substances of Chinese medicine.
基金Supported by the Natural Science Foundation of Zhejiang Province(No. Y204269)Chinese Medicine Foundation of Zhejiang Province(No.2005C004)
文摘Hyperlipidemia （HLP） is the No.1 risk factor for patients with atherosclerosis （AS） and is directly related to the occurrence of coronary artery disease （CAD） and cerebrovascular disease. Therefore, prevention and treatment of AS is of great importance and of practical significance in controlling the incidence and mortality of CAD. With its peculiar syndrome-dependent therapy, traditional Chinese medicine （TCM） has accumulated abundant practical experiences in this field and good clinical effects have been achieved. Chinese herbal medicine, with its particularly unique advantages and high potentials yet to be tapped, displays its huge strength in HLP prevention and treatment. The progress of studies concerning prevention and treatment of HLP by Chinese herbal medicines, in the form of monomers or compound recipes, is reviewed in this paper.
文摘As a series of and continuous publication,the papers published on Chinese Traditional and Herbal Drugs in 2010 were selectively and briefly highlighted to reflect the new progress on modern research of Chinese herbal medicines.Within 617 articles,chemical constituents(127),pharmaceutics and technology(149),pharmacological studies and clinical observation,and medicinal materials are still major categories.Some comments have also been personally provided.
基金supported by grants from the National Natural Science Foundation of China(No.81903786)the Shaanxi Natural Science Foundation of China(No.2021JQ-731)Subject Innovation Team of Shaanxi University of Chinese Medicine(No.2019-YL10)。
文摘Traditional Chinese medicine,as a complementary and alternative medicine,has been practiced for thousands of years in China and possesses remarkable clinical efficacy.Thus,systematic analysis and examination of the mechanistic links between Chinese herbal medicine(CHM)and the complex human body can benefit contemporary understandings by carrying out qualitative and quantitative analysis.With increasing attention,the approach of network pharmacology has begun to unveil the mystery of CHM by constructing the heterogeneous network relationship of“herb-compound-target-pathway,”which corresponds to the holistic mechanisms of CHM.By integrating computational techniques into network pharmacology,the efficiency and accuracy of active compound screening and target fishing have been improved at an unprecedented pace.This review dissects the core innovations to the network pharmacology approach that were developed in the years since 2015 and highlights how this tool has been applied to understanding the coronavirus disease 2019 and refining the clinical use of CHM to combat it.
文摘<em>Prunella vulgaris</em> (PV) is a perennial plant which is widely grown around the world. It has been widely used as a medicinal treatment for generations. Previous studies showed extracts from this plant had a wide range of therapeutic efficacy, including anti-tumorous effect. However, the volatile organic compounds (VOCs) extracted from it were rarely explored. This paper reports on the characterization of a steam distillation process to extract VOCs in PV and also the anti-tumorous effects of the PV distillate using the tetrazolium-based Cell Counting Kit-8 (CCK-8) as the test agent, when the VOCs were used to treat oral squamous cancer cells, SSC154. It was found that most abundant VOCs came out steadily and continuously for as long as the duration of the steam extraction could extend. However, some compounds such as benzaldehyde did show depletion as the distillation process progressed, while some compounds such as caryophyllene oxide was only sparsely found at the beginning of distillation. The PV distillate was mildly effective in its cytotoxicity to cancer cells SCC154, in a dosage dependent manner.
