Objective:To investigate the action mechanism of Rhizoma Atractylodis (Atractylodes lancea (Thunb.) Dc.) and Rhizoma Atractylodis Macrocephalae (Atractylodes macrocephala Koidz.),a two-herb ancient traditional Chinese...Objective:To investigate the action mechanism of Rhizoma Atractylodis (Atractylodes lancea (Thunb.) Dc.) and Rhizoma Atractylodis Macrocephalae (Atractylodes macrocephala Koidz.),a two-herb ancient traditional Chinese medicine used to treat type 2 diabetes mellitus,using molecular docking.Methods:The Traditional Chinese Medicine Systems Pharmacology Database and Analysis Platform was searched for compounds in the two herbs and oral bioavailability and drug-likeness values were used to select compounds.The target proteins were selected based on a survey of the literature and related databases,and three receptors closely related to type 2 diabetes were chosen:insulin receptor,peroxisome proliferator activated receptor and dipeptidyl peptidase-Ⅳ.Molecular docking was performed using the CDocker module in Discovery Studio software.The interactions between targets and ligands were observed and analyzed,including the mode of action.Results:Nineteen compounds from the herbal pair interacted with the insulin receptor,the peroxisome proliferator activated receptor and dipeptidyl peptidase-Ⅳ.Among them,10 compounds bound successfully with all three targets,one compound bound with two targets,and eight compounds bound with one target.According to CDocker Interaction Energy,most compounds from the herbal pair had good binding activities with receptors and nine compounds had even higher scores than those of the original ligands.These data indicate that these compounds may be active in reducing blood glucose levels for the treatment of type 2 diabetes.Conclusion:Multiple compounds in the Rhizoma Atractylodis-Rhizoma Atractylodis Macrocephalae herbal pair can affect multiple human targets related to type 2 diabetes.展开更多
Two kinds of mudstones from the Tarim Basin and the Tuna Basin were treated with C8 and C18 alkylammonium cations. Both of them were dated by the K-Ar method. One kind of rock contains mainly diagenetic illite, and th...Two kinds of mudstones from the Tarim Basin and the Tuna Basin were treated with C8 and C18 alkylammonium cations. Both of them were dated by the K-Ar method. One kind of rock contains mainly diagenetic illite, and the other contains mixed layer illite/smectite (I/S). Sample separation and alkylamnionium cations treatment were performed first, and K-Ar dating followed. The result shows that fine-grained minerals have younger K-Ar ages and coarse-grained components have older ages. Plots of K-Ar age versus K2O (%) are linear, the range of diagenetic age can be estimated by extrapolation. The reaction results of the above samples are different after alkylamnionium cations treatments. The samples containing mainly illite show a decrease in K2O and an increase in age by 1-25 Ma, suggesting that preferential exchange of young diagenetic clay rather than detrital clay by alkylamnionium cations, therefore the age of diagenetic illite can be calculated directly by the % K2O and radiogenic 40Ar removed. For the展开更多
基金This study was supported by the National Natural Science Foundation of China(81473800).
文摘Objective:To investigate the action mechanism of Rhizoma Atractylodis (Atractylodes lancea (Thunb.) Dc.) and Rhizoma Atractylodis Macrocephalae (Atractylodes macrocephala Koidz.),a two-herb ancient traditional Chinese medicine used to treat type 2 diabetes mellitus,using molecular docking.Methods:The Traditional Chinese Medicine Systems Pharmacology Database and Analysis Platform was searched for compounds in the two herbs and oral bioavailability and drug-likeness values were used to select compounds.The target proteins were selected based on a survey of the literature and related databases,and three receptors closely related to type 2 diabetes were chosen:insulin receptor,peroxisome proliferator activated receptor and dipeptidyl peptidase-Ⅳ.Molecular docking was performed using the CDocker module in Discovery Studio software.The interactions between targets and ligands were observed and analyzed,including the mode of action.Results:Nineteen compounds from the herbal pair interacted with the insulin receptor,the peroxisome proliferator activated receptor and dipeptidyl peptidase-Ⅳ.Among them,10 compounds bound successfully with all three targets,one compound bound with two targets,and eight compounds bound with one target.According to CDocker Interaction Energy,most compounds from the herbal pair had good binding activities with receptors and nine compounds had even higher scores than those of the original ligands.These data indicate that these compounds may be active in reducing blood glucose levels for the treatment of type 2 diabetes.Conclusion:Multiple compounds in the Rhizoma Atractylodis-Rhizoma Atractylodis Macrocephalae herbal pair can affect multiple human targets related to type 2 diabetes.
基金This workwas supported by the National Natural Science Foundation of China (Grant No. 4997249).
文摘Two kinds of mudstones from the Tarim Basin and the Tuna Basin were treated with C8 and C18 alkylammonium cations. Both of them were dated by the K-Ar method. One kind of rock contains mainly diagenetic illite, and the other contains mixed layer illite/smectite (I/S). Sample separation and alkylamnionium cations treatment were performed first, and K-Ar dating followed. The result shows that fine-grained minerals have younger K-Ar ages and coarse-grained components have older ages. Plots of K-Ar age versus K2O (%) are linear, the range of diagenetic age can be estimated by extrapolation. The reaction results of the above samples are different after alkylamnionium cations treatments. The samples containing mainly illite show a decrease in K2O and an increase in age by 1-25 Ma, suggesting that preferential exchange of young diagenetic clay rather than detrital clay by alkylamnionium cations, therefore the age of diagenetic illite can be calculated directly by the % K2O and radiogenic 40Ar removed. For the