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1.
J Pharm Biomed Anal ; 184: 113197, 2020 May 30.
Artigo em Inglês | MEDLINE | ID: mdl-32120187

RESUMO

Untargeted mass spectrometry analysis is one of the most challenging and meaningful steps in the rapid structural elucidation of the highly complex and diverse constituents of traditional Chinese medicine. Specifically, it is a laborious and time-consuming way to identify unknown compounds. Herein, a workflow was proposed to expedite the annotations of the chemical structures in Pheretima aspergillum (E. Perrier) (Di-Long, DL). First, ultra high-performance liquid chromatography coupled with quadrupole time-of-flight mass spectrometry (UHPLC-QTOFMS) was performed to obtain the untargeted mass spectral data. Then, the spectral data were uploaded to the Global Natural Products Social Molecular Networking (GNPS) platform to create a network and extract the Mass2Motifs (co-occurring fragments and neutral losses) using unsupervised substructure annotation topic modeling (MS2LDA). Finally, a structural analysis was performed using the proposed workflow of MS2LDA in combination with mass spectral molecular networking and in silico fragmentation prediction. As a result, a total of 124 compounds from DL were effectively characterized, of which 89 (7 furan sulfonic acids, 57 phospholipids and 25 carboxamides) were identified as potentially new compounds from DL. The results presented in this article significantly improve the understanding of the chemical composition of DL and provide a solid scientific basis for the future study of the quality control, underlying pharmacology and mechanism of DL. Moreover, the proposed workflow was used for the first time to accelerate the annotations of unknown molecules from TCM. Furthermore, this workflow will increase the efficiency of characterizing the 'unknown knowns' and elucidation of the 'unknown unknowns' from TCM, which are crucial steps of discovering the natural product drugs in TCM.

2.
ACS Omega ; 4(1): 2047-2052, 2019 Jan 31.
Artigo em Inglês | MEDLINE | ID: mdl-31459455

RESUMO

Five new guaiane dimers, xylopidimers A-E (1-5), were isolated and identified from the roots of Xylopia vielana. The structures of 1-5 were elucidated by spectroscopic analysis and further confirmed by single-crystal X-ray diffraction. On the basis of the results of single-crystal X-ray analysis, 1-5 showed different carbon skeletons. Among these compounds, the unique connecting patterns of 1 and 2 caused significant differences on their carbon skeletons, which have not been reported. Moreover, 3-5 were also three new guaiane dimers. Among these compounds, 4 exhibited potent inhibitory activity against the production of nitric oxide with an IC50 value of 4.59 µM in RAW264.7 cells stimulated by lipopolysaccharide.

3.
Biomed Pharmacother ; 109: 459-467, 2019 Jan.
Artigo em Inglês | MEDLINE | ID: mdl-30399582

RESUMO

Elicitation by chemical means including heavy metals is one of a novel technique for drug discoveries. In this review, the effect of heavy metals on animal, plants and microorganisms for the production of novel compounds with the unique structures has been discussed. The number of parameters such as metal concentration, type, dose, treatment schedule, duration of metal exposure, and nutrient composition are significant factors altering the secondary metabolites production. The detailed illustrated diagram representing the mode of action of metal stress has also been discussed. This is the first article reporting all the novel compounds produced from plants and microorganisms in response to metal-stress with their pharmacological potential. This new technique opens the new way for drug discovery from natural products.


Assuntos
Produtos Biológicos/uso terapêutico , Descoberta de Drogas/tendências , Exposição Ambiental/prevenção & controle , Metais Pesados/toxicidade , Estresse Oxidativo/efeitos dos fármacos , Animais , Produtos Biológicos/química , Produtos Biológicos/farmacologia , Descoberta de Drogas/métodos , Exposição Ambiental/análise , Humanos , Estresse Oxidativo/fisiologia , Plantas Medicinais
4.
Org Biomol Chem ; 16(37): 8408-8412, 2018 09 26.
Artigo em Inglês | MEDLINE | ID: mdl-30221279

RESUMO

Four unprecedented guaiane dimers, xylopsides A-D (1-4), were isolated and identified from the roots of Xylopia vielana. The structures of 1-4 were elucidated by spectroscopic analysis, Cu Kα X-ray crystallography and CD spectra. 1-4 showed two bridged pentacyclic skeletons between two guaiane-type sesquiterpenes, which were characterized as two different bridged ring systems. Among these compounds, 4 exhibited a moderate inhibitory activity against the production of nitric oxide with an IC50 value of 25.7 µM in RAW264.7 cells stimulated by LPS.


Assuntos
Dimerização , Sesquiterpenos de Guaiano/química , Sesquiterpenos de Guaiano/farmacologia , Xylopia/química , Animais , Camundongos , Modelos Moleculares , Conformação Molecular , Óxido Nítrico/biossíntese , Raízes de Plantas/química , Células RAW 264.7
5.
Fitoterapia ; 130: 43-47, 2018 Oct.
Artigo em Inglês | MEDLINE | ID: mdl-30076886

RESUMO

Five new guaiane-type sesquiterpenoid dimers vielopsides A-E, connecting patterns through two direct CC bonds (C-2 to C-2', C-4 to C-1'), were isolated from the roots of Xylopia vielana. Their absolute configurations were established by NOE analysis, the Cu Kα X-ray crystallographic and circular dichroism (CD) experiment. Among them, compound 5 showed moderate activity IC50 values of 33.8 µM on NO production in RAW 264.7 macrophages.


Assuntos
Compostos Fitoquímicos/isolamento & purificação , Sesquiterpenos/isolamento & purificação , Xylopia/química , Animais , China , Camundongos , Estrutura Molecular , Óxido Nítrico/metabolismo , Compostos Fitoquímicos/farmacologia , Raízes de Plantas/química , Células RAW 264.7 , Sesquiterpenos/farmacologia
6.
Fitoterapia ; 127: 96-100, 2018 Jun.
Artigo em Inglês | MEDLINE | ID: mdl-29421243

RESUMO

Three new aporphine alkaloids, xylopialoids A-C (1-3), along with three known aporphine alkioids (4-6) and three other known compounds (7-9) were isolated from the roots of Xylopia vielana. Among these three new aporphine alkaloids, xylopialoid C (3) showed a special carbamido group directly connected to the nitrogen. The chemical structures of these nine compounds were determined by a combination of 1D and 2D NMR, MS, CD spectrum and Cu Kα X-ray crystallographic analyses. All these six alkaloids were firstly tested for the inhibitory activities against the production of NO in RAW264.7 cells stimulated by lipopolysaccharide (LPS). Among these compounds, 4 showed a potential inhibitory activity against the production of nitric oxide with IC50 value of 1.39 µM.


Assuntos
Alcaloides/isolamento & purificação , Anti-Inflamatórios/isolamento & purificação , Raízes de Plantas/química , Xylopia/química , Alcaloides/farmacologia , Animais , Anti-Inflamatórios/farmacologia , Camundongos , Estrutura Molecular , Óxido Nítrico/metabolismo , Células RAW 264.7
7.
Fitoterapia ; 125: 18-23, 2018 Mar.
Artigo em Inglês | MEDLINE | ID: mdl-29242037

RESUMO

One unusual metal complex of cadinane sesquiterpene alkaloid (1), one new cadinane sesquiterpene alkaloid (2) and two new neolignan glycosides (3-4) along with six known cadinane sesquiterpene derivatives (5-10), nineteen known phenolic glycosides (11-29) were isolated from the aerial parts of Alangium alpinum. Structures of new crystals of metal complex were characterized by X-Ray diffraction and ICP-AES analysis. Other new compounds were elucidated by combined use and detailed analysis of HR-ESIMS, 1D and 2D NMR and CD spectroscopic method. In addition, all isolated compounds were tested for their inhibitory effects against TNF-α induced NF-κB activation in Hela cells and NO production in RAW 264.7 macrophages.


Assuntos
Alangiaceae/química , Alcaloides/isolamento & purificação , Glicosídeos/isolamento & purificação , Lignanas/isolamento & purificação , Sesquiterpenos/isolamento & purificação , Alcaloides/química , Animais , Células HeLa , Humanos , Metais/química , Camundongos , Estrutura Molecular , NF-kappa B/metabolismo , Óxido Nítrico/metabolismo , Componentes Aéreos da Planta/química , Sesquiterpenos Policíclicos , Células RAW 264.7 , Sesquiterpenos/química , Fator de Necrose Tumoral alfa/metabolismo
8.
Fitoterapia ; 121: 152-158, 2017 Sep.
Artigo em Inglês | MEDLINE | ID: mdl-28733150

RESUMO

Seven new lignan glycosides (1-3, 8-10, and 14) and 17 known compounds were isolated from the branches of Alangium kurzii Craib var. laxifolium. Their structures were established by spectroscopic analysis and circular dichroism (CD) and X-ray analysis. The isolated compounds were evaluated for their antibacterial activities against Staphylococcus aureus CI1011, Streptococcus suis CI1608, Salmonella gallinarum CI0912, Enterococcus faecalis CI1304, Aeromonas hydrophila CI1008, Escherichia coli CI151012, Vibrio parahaemolyticus CI150506, Klebsiella pneumoniae CI131216, Pseudomonas aeruginosa CI1011, Staphylococcus epidermidis CI1110, and Streptococcus agalactiae CI1302. Their minimum inhibitory concentrations (MICs) were determined by serial dilution in 96-well culture plates.


Assuntos
Alangiaceae/química , Antibacterianos/química , Glicosídeos/química , Lignanas/química , Antibacterianos/isolamento & purificação , Glicosídeos/isolamento & purificação , Lignanas/isolamento & purificação , Testes de Sensibilidade Microbiana , Estrutura Molecular , Extratos Vegetais/química
9.
Artigo em Inglês | MEDLINE | ID: mdl-28473862

RESUMO

In a continuing effort to discover more anti-inflammatory medicinal plants in China, the anti-inflammatory activities of 101 extracts from different parts of 84 traditional medicinal plants were evaluated by a panel of in vitro and in vivo assays. Nuclear factor-kappa B (NF-κB) inhibitory effects were determined by luciferase assay in stably transfected Hela cells. Cytotoxic activities were assessed using the MTT assay. Inhibitory effects on LPS-induced nitric oxide production and proinflammatory mediators were assessed by Griess reaction and Real-Time PCR analysis, respectively. In vivo anti-inflammatory activities were examined by xylene-induced mice ear edema model. In total, 22 extracts showed promising NF-κB inhibitory effects whereas 9 of them did not affect the cell viability. The 9 hit extracts were active in at least one of the subsequently performed in vitro pharmacological test systems. The extract from Hemerocallis minor (root) was selected to perform the in vivo study because it demonstrated significant suppressive effects in all the in vitro assays. Results showed that the extract of Hemerocallis minor (Root) was able to alleviate ear edema effectively in xylene-induced mice ear edema mode. Collectively, our study provides evidence for the potential anti-inflammatory effects of the medicinal plants traditionally used in China. Further phytochemical and pharmacological studies remain to be clarified.

10.
Fitoterapia ; 118: 80-86, 2017 Apr.
Artigo em Inglês | MEDLINE | ID: mdl-28285947

RESUMO

Eight new γ-lactam alkaloids, hemerominors A-H (1-8), including two pair of epimers (1-4), together with six known compounds (9-14) were isolated from the roots of Hemerocallis minor Mill. The structures of 1-8 were established on the basis of extensive NMR studies and HR-MS measurements as well as comparison with literature data. The absolute configurations of 1-8 were determined by CD spectral analysis and modified Mosher's method. All of compounds were evaluated for their inhibitory effects against LPS-induced NO production in RAW264.7 macrophages. Among them, compound 13 exhibited moderate inhibitory activity against NO production and with IC50 value of 18.0 µM.


Assuntos
Alcaloides/química , Hemerocallis/química , Lactamas/química , Alcaloides/isolamento & purificação , Animais , Lactamas/isolamento & purificação , Macrófagos/efeitos dos fármacos , Camundongos , Estrutura Molecular , Óxido Nítrico , Raízes de Plantas/química , Células RAW 264.7
11.
Fitoterapia ; 113: 91-6, 2016 Sep.
Artigo em Inglês | MEDLINE | ID: mdl-27431772

RESUMO

Phytochemical investigation of Abies faxoniana Rehd. led to the isolation of two pairs of new epimeric spirolactone-type triterpenoids (1/1' and 2/2') and 11 known terpenoids (3-13). Compounds 1/1' and 2/2' were isolated as epimeric mixtures due to the C-23 ketal tautomerism in their spirolactone structures. The dynamic HPLC manifested that the C-23 epimeric mixtures interconverted into each other in solution. Structure determinations were based on extensive NMR and HRESIMS spectroscopic analysis. Meanwhile, their cytotoxic activities were tested by MTT method. Compound 5 showed cytotoxicities against MCF-7 and A549 cells with IC50 values of 6.5 and 5.7µM, respectively. Compounds 1/1' had IC50 values of 10.0 and 12.3µM for Huh7 and SMMC7721 cells, respectively.


Assuntos
Abies/química , Antineoplásicos Fitogênicos/química , Espironolactona/química , Triterpenos/química , Antineoplásicos Fitogênicos/isolamento & purificação , Linhagem Celular Tumoral , Humanos , Estrutura Molecular , Componentes Aéreos da Planta/química , Espironolactona/isolamento & purificação , Triterpenos/isolamento & purificação
12.
Planta Med ; 82(8): 734-41, 2016 May.
Artigo em Inglês | MEDLINE | ID: mdl-27220079

RESUMO

A phytochemical investigation on the roots of Campylotropis hirtella afforded nine new isoflavones (3-9, 12, 15), two new isoflavans (10 and 11), one new coumestan (1), and three new prenylated benzoic acid derivatives (2, 13, 14), together with twenty-four known compounds. Their structures were established by spectroscopic analysis and circular dichroism data. The isolated compounds were also evaluated for their antibacterial activities against Enterococcus faecalis, Salmonella gallinarum, Streptococcus suis, Streptococcus agalactiae, Aeromonas hydrophila, Pseudomonas aeruginosa, Bacillus subtilis, Riemerella anatipestifer, and Vibrio alginolyticus.


Assuntos
Antibacterianos/isolamento & purificação , Fabaceae/química , Extratos Vegetais/isolamento & purificação , Antibacterianos/química , Antibacterianos/farmacologia , Testes de Sensibilidade Microbiana , Estrutura Molecular , Extratos Vegetais/química , Extratos Vegetais/farmacologia , Raízes de Plantas/química
13.
J Asian Nat Prod Res ; 18(2): 200-5, 2016.
Artigo em Inglês | MEDLINE | ID: mdl-26243444

RESUMO

A new phenyldilactone, maysedilactone B (1), together with twenty known compounds, were isolated from the aerial parts of Lespedeza cuneata. The structural elucidation of the isolated compounds was primarily based on HR-ESI-MS, IR and 1D and 2D NMR analyses. Compounds 1-8 and 15-21 were tested for cytotoxicity against four human tumor cell lines (A549, HCT116, SKOV3, and HepG2) using MTT method in vitro, while no significant activities were observed for the evaluated compounds.


Assuntos
Antineoplásicos Fitogênicos/isolamento & purificação , Antineoplásicos Fitogênicos/farmacologia , Medicamentos de Ervas Chinesas/isolamento & purificação , Medicamentos de Ervas Chinesas/farmacologia , Lactonas/isolamento & purificação , Lactonas/farmacologia , Lespedeza/química , Antineoplásicos Fitogênicos/química , Ensaios de Seleção de Medicamentos Antitumorais , Medicamentos de Ervas Chinesas/química , Células HCT116 , Células Hep G2 , Humanos , Lactonas/química , Estrutura Molecular , Ressonância Magnética Nuclear Biomolecular , Componentes Aéreos da Planta/química
14.
Yao Xue Xue Bao ; 51(6): 843-52, 2016 06.
Artigo em Chinês | MEDLINE | ID: mdl-29878736

RESUMO

The international cooperated research projects of the Human Microbiome Project (HMP) and Metagenomics of The Human Intestinal Tract (MetaHIT) were officially launched in 2007, which indicated the era of metagenomics research of microorganisms in human gastrointestinal tract had been coming. Each human body is a superorganism which is composed of 90% commensal microorganisms, especially the intestinal microorganisms. The intestinal microorganisms play an important role on health maintenance since they are involved in the absorption and metabolism of nutrients in the human bodies. Herein, we review the research progress in the mechanism of intestinal microorganisms in human diseases. Our purpose is to provide novel ideas on human health and therapeutic targets of diseases.


Assuntos
Microbioma Gastrointestinal , Intestinos/microbiologia , Metagenômica , Humanos , Simbiose
15.
Phytochemistry ; 117: 135-143, 2015 Sep.
Artigo em Inglês | MEDLINE | ID: mdl-26083453

RESUMO

Systematic phytochemical investigations on Abies fabri resulted in the isolation of 94 compounds, consisting of 68 terpenoids, six lignans, seven flavonoids, and 13 other miscellaneous chemical constituents. Their structures were elucidated on the basis of spectroscopic methods, and the absolute configurations of three of these previously unknown compounds were determined by Cu-Kα X-ray crystallographic analysis. Twelve previously unreported compounds, one artifact, and one potential artifact were identified, including six triterpenoids, four diterpenoids, two sesquiterpenoids, one lignan, and one phenol. 23-Hydroxy-3-oxolanosta-8,24-dien-26,23-olide showed weak cytotoxic activity against A549 and THP-1 cells with the IC50 values of 5.3 and 5.1 µM, respectively.


Assuntos
Abies/química , Antineoplásicos Fitogênicos , Medicamentos de Ervas Chinesas , Antineoplásicos Fitogênicos/química , Antineoplásicos Fitogênicos/isolamento & purificação , Antineoplásicos Fitogênicos/farmacologia , Cristalografia por Raios X , Diterpenos/química , Medicamentos de Ervas Chinesas/química , Medicamentos de Ervas Chinesas/isolamento & purificação , Medicamentos de Ervas Chinesas/farmacologia , Flavonoides/química , Concentração Inibidora 50 , Lignanas/química , Lipopolissacarídeos/farmacologia , Macrófagos/efeitos dos fármacos , Conformação Molecular , Estrutura Molecular , Óxido Nítrico/biossíntese , Ressonância Magnética Nuclear Biomolecular , Fenóis/química , Fenóis/isolamento & purificação , Fenóis/farmacologia , Componentes Aéreos da Planta/química , Extratos Vegetais/química , Terpenos/análise , Triterpenos/química
16.
Phytochemistry ; 116: 221-229, 2015 Aug.
Artigo em Inglês | MEDLINE | ID: mdl-25986863

RESUMO

Nine lanostane-type triterpenoids were isolated from branches and leaves of Abies faxoniana, along with 10 known compounds. Two were isolated as inseparable mixtures of epimers at C-23 of the γ-lactone ring that had a lactol structure. The structures of the nine compounds were established by spectroscopic analysis and circular dichroism (CD) data. The absolute configurations at the stereogenic centres of two of the known compounds were confirmed by X-ray crystallography. One compound showed cytotoxic activities against HCT-116, MCF-7, and A549 cells with IC50 values of 8.9, 7.6, and 4.2µM, respectively. The isolated compounds were tested for their effects on human DNA topoisomerases I and II. One was found to be a selective inhibitor of human topo II activity with an IC50 value of 53.5µM, which was comparable to that of the topo II inhibitor etoposide (IC50=49.6µM).


Assuntos
Abies/química , DNA Topoisomerases/efeitos dos fármacos , Lanosterol/isolamento & purificação , Lanosterol/farmacologia , Inibidores da Topoisomerase II/isolamento & purificação , Inibidores da Topoisomerase II/farmacologia , Inibidores da Topoisomerase/isolamento & purificação , Inibidores da Topoisomerase/farmacologia , Cristalografia por Raios X , Humanos , Concentração Inibidora 50 , Lanosterol/química , Estrutura Molecular , Componentes Aéreos da Planta/química , Estereoisomerismo , Inibidores da Topoisomerase II/química , Inibidores da Topoisomerase/química
17.
Chin J Nat Med ; 13(1): 3-21, 2015 Jan.
Artigo em Inglês | MEDLINE | ID: mdl-25660284

RESUMO

In the post-genomic era, biological studies are characterized by the rapid development and wide application of a series of "omics" technologies, including genomics, proteomics, metabolomics, transcriptomics, lipidomics, cytomics, metallomics, ionomics, interactomics, and phenomics. These "omics" are often based on global analyses of biological samples using high through-put analytical approaches and bioinformatics and may provide new insights into biological phenomena. In this paper, the development and advances in these omics made in the past decades are reviewed, especially genomics, transcriptomics, proteomics and metabolomics; the applications of omics technologies in pharmaceutical research are then summarized in the fields of drug target discovery, toxicity evaluation, personalized medicine, and traditional Chinese medicine; and finally, the limitations of omics are discussed, along with the future challenges associated with the multi-omics data processing, dynamics omics analysis, and analytical approaches, as well as amenable solutions and future prospects.


Assuntos
Pesquisa Biomédica/métodos , Genômica , Metabolômica , Farmacologia , Proteômica , Perfilação da Expressão Gênica
18.
Nat Prod Commun ; 10(12): 2101-3, 2015 Dec.
Artigo em Inglês | MEDLINE | ID: mdl-26882675

RESUMO

One new phenolic compound (1) and one new flavan (2), together with eight known compounds (3-10) were isolated from the stems and twigs of Euonymus glabra Roxb. Their structures were elucidated mainly on the basis of 1D and 2D spectroscopic methods and circular dichroism analysis. In addition, compounds 1-10 were tested for their inhibitory effects against LPS-induced NO production in RAW264.7 macrophages. Compounds 1-5 and 7 exhibited moderate inhibitory activities with IC50 values ranged from 5.1 to 11.9 µM.


Assuntos
Euonymus/química , Flavonoides/química , Fenóis/química , Estrutura Molecular , Componentes Aéreos da Planta/química
19.
Arch Pharm Res ; 38(5): 666-72, 2015.
Artigo em Inglês | MEDLINE | ID: mdl-24737395

RESUMO

One new 1,10-secoeudesmanolide (1), two eudesmanolides (2 and 3), together with nine known compounds (4-12) were isolated from the aerial parts of Inula britannica. The structures of the new compounds were elucidated by detailed spectroscopic analysis, including HRESIMS and 2D-NMR spectroscopic method. In addition, compounds 1-4 were tested for their inhibitory effects against LPS-induced NO production in RAW264.7 macrophages.


Assuntos
Inula , Lactonas/isolamento & purificação , Extratos Vegetais/isolamento & purificação , Sesquiterpenos/isolamento & purificação , Animais , Linhagem Celular , Cristalografia , Lactonas/química , Lactonas/farmacologia , Macrófagos/efeitos dos fármacos , Camundongos , Componentes Aéreos da Planta , Extratos Vegetais/química , Extratos Vegetais/farmacologia , Sesquiterpenos/química , Sesquiterpenos/farmacologia
20.
Phytochemistry ; 106: 116-123, 2014 Oct.
Artigo em Inglês | MEDLINE | ID: mdl-25081106

RESUMO

During a survey on chemical constituents of Abies nukiangensis, seven previously unreported compounds, including six triterpenes (1-6) and one phenol (7) were isolated and characterized, together with 37 known miscellaneous chemical constituents. The structures of compounds 1-7 were established mainly by extensive analysis of the 1D and 2D NMR, as well as HRMS data. The absolute configurations of compounds 1 and 8 were confirmed unambiguously by the Cu-Kα X-ray crystallography. Compounds 3 and 8-10 showed significant anti-hepatitis C virus effects with EC50 values of 3.73, 2.67, 1.33 and 2.25µM, respectively.


Assuntos
Abies/química , Antivirais/química , Fenóis/química , Triterpenos/química , Antivirais/isolamento & purificação , Linhagem Celular Tumoral , Hepacivirus/efeitos dos fármacos , Humanos , Espectroscopia de Ressonância Magnética , Estrutura Molecular , Fenóis/isolamento & purificação , Componentes Aéreos da Planta/química , Extratos Vegetais/química , Triterpenos/isolamento & purificação
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