Orchidaceae is a large family of 1,260 species in Mexico, of which 433 grow in the state of Veracruz, Mexico. Although economically important in horticulture because of the beauty of their flowers, researches have don...Orchidaceae is a large family of 1,260 species in Mexico, of which 433 grow in the state of Veracruz, Mexico. Although economically important in horticulture because of the beauty of their flowers, researches have done little work regarding their medicinal properties. This paper aimed to present the results of ethnobotanical, pharmacological and active compounds research on Veracruz medicinal orchids. The ethnobotanical information was obtained by consulting the Atlas of the Mexican Traditional Medicine Plants, Veracruz Medicinal Flora Database （CITRO-UV project） and through field work in the Nahuatl community of Cuautlajapa, Veracruz. To obtain pharmacological and active compounds information of registered species, a search was carded out through MEDLINE （USA National Library of Medicine Journal Citation database）. Twelve medicinal orchids were recorded for Veracruz, i.e., Epidendrum chlorocorymbos Schltr., Habenaria floribunda Lindl., Isochillus latibracteatus A. Rich. ＆ Galeotti, lsochillus major Schltdl. ＆ Cham., Mormodes maculata var. unicolor （Hook.） L. O. Williams, Oestlundia luteorosea （A. Rich. ＆ Galeotti） W. E. Higgins, Oncidium ascendens Lindl., Scaphyglottis fasciculata Hook., Sobralia macrantha Lindl., Spiranthes eriophora （Rob. ＆ Greenm.）, Stanhopea oculata （G. Lodd.） Lindl. and Vanilla planifolia Andrews. Only two species have been investigated in terms of their pharmacology and active compounds. Also, information for another five species closely related to already identified ones was obtained. Given the relative poverty of current information on the topic, this paper demonstrates the need to further study the ethnobotanical, pharmacological and chemical aspects of the region＇s medicinal orchids.展开更多
The production of chemicals from biomass is a very challenging process due to its diverse chemical composition. Lignin, cellulose and hemicellulose are the three main biopolymers of wood biomass, with cell walls ＆pla...The production of chemicals from biomass is a very challenging process due to its diverse chemical composition. Lignin, cellulose and hemicellulose are the three main biopolymers of wood biomass, with cell walls ＆plant origin. Lignin has been chosen for the present studies due to its range of different linkages and structures. The present work involved a computational study of the most dominant lignin dimers and their vibrational structures, based on the Density Functional Theory method. Full geometry optimization of the compartments used the StoBe code with cluster model and non-local functional （RPBE） approach. The calculations of the vibrational frequencies were performed with harmonic approximations as well as an anharmonicity fit in the Morse potential function, as implemented in the StoBe code. In the case oflignin, the calculations included three different precursors based on： coumaryl alcohol, coniferyl alcohol and sinapyl alcohol. To represent the cellulose and hemicellulose derivatives, selected aldopentoses and aldohexoses （arabinose, xylose, glucose, galactose, and mannose） were considered. Presented here are the theoretical investigations for a variety of biomass derived compounds, to give the possibility of obtaining a theoretical VBD （Vibrations Basis Database） for experimental spectra interpretation. Such a database could be further used in the preliminary composition assessment of biomass derived substrates, which will be discussed here in more detail.展开更多
Objective: Excavate the medication rule of traditional Chinese medicine in the treatment of prostate cancer, and predicting the biomolecular level mechanism of high-frequency drug compatibility. Methods: Relevant docu...Objective: Excavate the medication rule of traditional Chinese medicine in the treatment of prostate cancer, and predicting the biomolecular level mechanism of high-frequency drug compatibility. Methods: Relevant documents in CNKI, Wanfang Medical Network and VIP Chinese Biomedical Periodical Database Pubmed, EMbase were collected and collated systematically. Frequency statistics, association rule analysis and new party mining were carried out using TCMISSV2.5. BATMAN-TCM was used to analyze the interaction relationship and related pathways between high-frequency drug targets. Results: Huangqi (Astragalus membranaceus) was the single drug most used of the 102prescriptions included in the standard. There are 6 pairs of combinations with high confidence in association rule analysis. System entropy cluster analysis resulted in 20 core drug combinations and 9 new prescriptions. Through KEGG pathway analysis of Huangqi, Fuling (Poria cocos), Gancao (Glycyrrhiza uralensis) and Dihuang (Rehmannia glutinosa), it was found that the number of potential targets of the neural active ligand receptor rented pathway and purine metabolism pathway was the largest. Conclusions: Prostate cancer is mainly treated with deficiency-tonifying drugs, which are combined with drugs for promoting blood circulation, removing blood stasis, clearing heat, promoting diuresis, detoxifying and resolving hard mass. The mechanism of action of high-frequency traditional Chinese medicine may be realized by interfering with the neuroactive ligand receptor interaction pathway and purine metabolism pathway.展开更多
文摘Orchidaceae is a large family of 1,260 species in Mexico, of which 433 grow in the state of Veracruz, Mexico. Although economically important in horticulture because of the beauty of their flowers, researches have done little work regarding their medicinal properties. This paper aimed to present the results of ethnobotanical, pharmacological and active compounds research on Veracruz medicinal orchids. The ethnobotanical information was obtained by consulting the Atlas of the Mexican Traditional Medicine Plants, Veracruz Medicinal Flora Database （CITRO-UV project） and through field work in the Nahuatl community of Cuautlajapa, Veracruz. To obtain pharmacological and active compounds information of registered species, a search was carded out through MEDLINE （USA National Library of Medicine Journal Citation database）. Twelve medicinal orchids were recorded for Veracruz, i.e., Epidendrum chlorocorymbos Schltr., Habenaria floribunda Lindl., Isochillus latibracteatus A. Rich. ＆ Galeotti, lsochillus major Schltdl. ＆ Cham., Mormodes maculata var. unicolor （Hook.） L. O. Williams, Oestlundia luteorosea （A. Rich. ＆ Galeotti） W. E. Higgins, Oncidium ascendens Lindl., Scaphyglottis fasciculata Hook., Sobralia macrantha Lindl., Spiranthes eriophora （Rob. ＆ Greenm.）, Stanhopea oculata （G. Lodd.） Lindl. and Vanilla planifolia Andrews. Only two species have been investigated in terms of their pharmacology and active compounds. Also, information for another five species closely related to already identified ones was obtained. Given the relative poverty of current information on the topic, this paper demonstrates the need to further study the ethnobotanical, pharmacological and chemical aspects of the region＇s medicinal orchids.
文摘The production of chemicals from biomass is a very challenging process due to its diverse chemical composition. Lignin, cellulose and hemicellulose are the three main biopolymers of wood biomass, with cell walls ＆plant origin. Lignin has been chosen for the present studies due to its range of different linkages and structures. The present work involved a computational study of the most dominant lignin dimers and their vibrational structures, based on the Density Functional Theory method. Full geometry optimization of the compartments used the StoBe code with cluster model and non-local functional （RPBE） approach. The calculations of the vibrational frequencies were performed with harmonic approximations as well as an anharmonicity fit in the Morse potential function, as implemented in the StoBe code. In the case oflignin, the calculations included three different precursors based on： coumaryl alcohol, coniferyl alcohol and sinapyl alcohol. To represent the cellulose and hemicellulose derivatives, selected aldopentoses and aldohexoses （arabinose, xylose, glucose, galactose, and mannose） were considered. Presented here are the theoretical investigations for a variety of biomass derived compounds, to give the possibility of obtaining a theoretical VBD （Vibrations Basis Database） for experimental spectra interpretation. Such a database could be further used in the preliminary composition assessment of biomass derived substrates, which will be discussed here in more detail.
基金the National Natural Science Foundation of Hebei (No.H2018201179)Hebei University of Science and Technology (No. QN2016077)Health and Family Planning Commission of Hebei (No. 20160388).
文摘Objective: Excavate the medication rule of traditional Chinese medicine in the treatment of prostate cancer, and predicting the biomolecular level mechanism of high-frequency drug compatibility. Methods: Relevant documents in CNKI, Wanfang Medical Network and VIP Chinese Biomedical Periodical Database Pubmed, EMbase were collected and collated systematically. Frequency statistics, association rule analysis and new party mining were carried out using TCMISSV2.5. BATMAN-TCM was used to analyze the interaction relationship and related pathways between high-frequency drug targets. Results: Huangqi (Astragalus membranaceus) was the single drug most used of the 102prescriptions included in the standard. There are 6 pairs of combinations with high confidence in association rule analysis. System entropy cluster analysis resulted in 20 core drug combinations and 9 new prescriptions. Through KEGG pathway analysis of Huangqi, Fuling (Poria cocos), Gancao (Glycyrrhiza uralensis) and Dihuang (Rehmannia glutinosa), it was found that the number of potential targets of the neural active ligand receptor rented pathway and purine metabolism pathway was the largest. Conclusions: Prostate cancer is mainly treated with deficiency-tonifying drugs, which are combined with drugs for promoting blood circulation, removing blood stasis, clearing heat, promoting diuresis, detoxifying and resolving hard mass. The mechanism of action of high-frequency traditional Chinese medicine may be realized by interfering with the neuroactive ligand receptor interaction pathway and purine metabolism pathway.
