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Find video protocols related to scientific articles indexed in Pubmed.
Design, Synthesis and Biological Evaluation of Quinoxalin-2(1H)-One Derivatives as EGFR Tyrosine Kinase Inhibitors.
Anticancer Agents Med Chem
PUBLISHED: 08-25-2014
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With the successful use of ge?tinib and erlotinib in clinic, some potent EGFR tyrosine kinase receptor inhibitors have gained widespread concern in the treatment of ovarian or non-small-cell lung cancer. However, the emergence of EGFR-activating mutations resist to the drugs, there is an impending need to design new inhibitor targeted EGFR. Furthermore, the understanding of mutual effect between EGFR and drug has been available, it has become a hot spot for the research of anticancer drugs. We have designed and synthesized a series of 6-methoxy-7-(3-morpholinopropoxy)-1-(2-phenoxyethyl)-quinoxalin-2(1H)-one derivatives as novel EGFR inhibitors. Most of the compounds have showed inhibitory activity toward EGFR kinase. This work has demonstrated it is possible to construct a new type of EGFR protein kinase inhibitor using a design-in strategy.
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UPLC/Q-TOF MS-based metabolomics and qRT-PCR in enzyme gene screening with key role in triterpenoid saponin biosynthesis of Polygala tenuifolia.
PLoS ONE
PUBLISHED: 08-22-2014
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The dried root of Polygala tenuifolia, named Radix Polygalae, is a well-known traditional Chinese medicine. Triterpenoid saponins are some of the most important components of Radix Polygalae extracts and are widely studied because of their valuable pharmacological properties. However, the relationship between gene expression and triterpenoid saponin biosynthesis in P. tenuifolia is unclear.
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Selection and dynamic metabolic response of rat biomarkers by metabonomics and multivariate statistical analysis combined with GC-MS.
Pharmacol. Biochem. Behav.
PUBLISHED: 09-18-2013
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Depression is a common complex psychiatric disorder but its pathophysiological mechanism is not yet fully understood. Metabonomics by GC-MS and multivariate statistical analysis were used to select potential biomarkers associated with CUMS (chronic unpredictable mild stress) depression. The dynamic metabolic changes in rat serum were investigated to find potential disease biomarkers and to investigate the pathology of depression induced by the CUMS depression model. The changes in behavior and serum metabolic profiles were investigated during a three-week CUMS exposure. Serum samples were collected on days 0, 6, 9, 12, 15 and 21, and the serum metabolic profiling was carried out using GC-MS, followed by multivariate analysis. The potential biomarkers were screened from metabolites by principal component analysis and correlation analysis. The peak area of potential biomarkers was used to identify changes in depression in rats and describe their dynamics. Exposure to CUMS for three weeks caused depression-like behavior in rats, as indicated by significant decreases in weight gain, sucrose consumption, ambulation number and rearing numbers. Six potential biomarkers in serum, including glycine (Gly), glutamic acid (Glu), fructose, citric acid, glucose and hexadecanoic acid, were subjected to screening by metabonomics and multivariate statistical analysis. It was found that fructose, glucose and Gly were increased in the model group, while hexadecanoic acid, Glu and citric acid were reduced in the model group. According to the results of principal component analysis and correlation analysis, the correlation coefficient between the behavior scores and potential biomarkers in serum were all more than 0.9. This result suggests that the progression of depression may be associated with perturbation of glycometabolism, amino acid metabolism and energy metabolism. Gly, Glu, fructose, citric acid, glucose and hexadecanoic acid appear to be suitable quantitative diagnostic biomarkers for depression. The representative and unique nature of these biomarkers needs to be verified by pharmacological experiments, including molecular pharmacology investigations of enzymes or genes.
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NMR-based metabonomic and quantitative real-time PCR in the profiling of metabolic changes in carbon tetrachloride-induced rat liver injury.
J Pharm Biomed Anal
PUBLISHED: 07-30-2013
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Carbon tetrachloride (CCl4) is commonly used as a model toxicant to induce chronic and acute liver injuries. In this study, metabolite profiling and gene expression analysis of liver tissues were performed by nuclear magnetic resonance and quantitative real-time polymerase chain reaction to understand the responses of acute liver injury system in rats to CCl4. Acute liver injury was successfully induced by CCl4 as revealed by histopathological results and significant increase in alanine aminotransferase and serum aspartate aminotransferase. We found that CCl4 caused a significant increase in lactate, succinate, citrate, dimethylgycine, choline and taurine. CCl4 also caused a decrease in some of the amino acids such as leucine/isoleucine, glutamine/glutathione and betaine. Gene function analysis revealed that 10 relevant enzyme genes exhibited changes in expressions in the acute liver injury model. In conclusion, the metabolic pathways, including tricarboxylic acid cycle, antioxidant defense systems, fatty acid ?-oxidation, glycolysis and choline and mevalonate metabolisms were impaired in CCl4-treated rat livers. These findings provided an overview of the biochemical consequences of CCl4 exposure and comprehensive insights into the metabolic aspects of CCl4-induced hepatotoxicity in rats. These findings may also provide reference of the mechanisms of acute liver injury that could be used to study the changes in functional genes and metabolites.
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Metabolomic study of the fever model induced by bakers yeast and the antipyretic effects of aspirin in rats using nuclear magnetic resonance and gas chromatography-mass spectrometry.
J Pharm Biomed Anal
PUBLISHED: 01-15-2013
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A metabolomic investigation of bakers yeast-induced fever in rats was carried out. Plasma derived from Sprague-Dawley rats treated by subcutaneous administration of 20% (w/v) bakers yeast was analyzed using gas chromatography-mass spectrometry (GC-MS) and nuclear magnetic resonance (NMR). Statistical data analysis using t-test and orthogonal partial least-squares discriminant analysis revealed many significant changes in the metabolic data in the plasma of the fever group. Clear separation was achieved between the fever and control groups. Seventeen marked metabolites were found in the fever group. The metabolites, which include amino acids, carbohydrate, organic acids, and fatty acids, mostly contributed to the discrimination of plasma samples from the control and fever groups. These results suggested that fever may involve in the perturbation of amino acid metabolism coupled with energy metabolism, lipid metabolism, and glycometabolism. After determining the antipyretic effects of aspirin on the fever group, four metabolites in the fever rat plasma were found to be signally regulated and recognized as potential biomarkers, including 3-hydroxybutyric acid, gamma-aminobutyric acid, glucose, and linoleic acid. The metabolic relationships that possibly exist between these potential biomarkers were speculated, and the mechanism of bakers yeast-induced fever was illustrated based on the metabolic relationships. This study found that metabolomic approaches such as GC-MS and NMR could be used as potential powerful tools to investigate the biochemical changes and mechanisms in certain pathological states at the metabolism level.
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Design and synthesis of novel ?-diketo derivatives as HIV-1 integrase inhibitors.
Bioorg. Med. Chem.
PUBLISHED: 09-15-2011
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A series of novel ?-diketo derivatives which combined the virtues of 1,3-diketo, 1,2,3-triazole and polyhydroxylated aromatics moieties, were designed and synthesized as potential HIV-1 integrase (IN) inhibitors and evaluated their inhibition to the strand transfer process of HIV-1 integrase. The result indicates that 3,4,5-trihydroxylated aromatic derivatives exhibit good inhibition to HIV-1 integrase, but dihydroxylated aromatic derivatives and corresponding methoxy aromatic derivatives appear little inhibition to HIV-1 integrase.
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Metabonomic study on chronic unpredictable mild stress and intervention effects of Xiaoyaosan in rats using gas chromatography coupled with mass spectrometry.
J Ethnopharmacol
PUBLISHED: 02-17-2011
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Xiaoyaosan (XYS), a famous Chinese prescription, composed of Radix Bupleuri (Bupleurum chinense DC.), Radix Angelicae Sinensis (Angelica sinensis (Oliv.) Diels), Radix Paeoniae Alba (Paeonia lactiflora Pall.), Rhizoma Atractylodis Macrocephalae (Atractylodes macrocephala Koidz.), Poria (Poria cocos (Schw.) Wolf), Radix Glycyrrhizae (Glycyrrhiza uralensis Fisch.), Herba Menthae (Mentha haplocalyx Briq.), and Rhizoma Zingiberis Recens (Zingiber officinale Rosc.), has been widely used in the clinic for treating mental disorders. Behavior and biochemical analyses indicate XYS has obvious anti-depression activity. However, there is no report on the effects of XYS using a metabolomics approach.
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Antidepressant-like effects of the fractions of Xiaoyaosan on rat model of chronic unpredictable mild stress.
J Ethnopharmacol
PUBLISHED: 01-18-2011
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Xiaoyaosan (XYS), composed of Radix Bupleuri, Radix Angelicae Sinensis, Radix Paeoniae Alba, Rhizoma Atractylodis Macrocephalae, Poria, Herba Menthae, Rhizoma Zingiberis Recens and Radix Glycyrrhizae, is a valuable traditional Chinese medicine (TCM) which is used for the treatment of depression in China. In the formula, Radix Bupleuri usually serves as the principal drug, Radix Angelicae Sinensis and Radix Paeoniae Alba serve as the ministerial drugs, Rhizoma Atractylodis Macrocephalae, Poria, Herba Menthae and Rhizoma Zingiberis Recens serve as adjunctive drugs, Radix Glycyrrhizae serves as messenger drug, they coordinate with each other and enhance the effect of the formula. In our previous experiments, the antidepressant effect of XYS was revealed. However, the antidepressant part (or component) of this prescription was still obscure. We divided the XYS into five different polar fractions, and explored the antidepressant activity of five different polar fractions to identify the active fraction.
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Study on the relevance between beany flavor and main bioactive components in Radix Astragali.
J. Agric. Food Chem.
PUBLISHED: 04-03-2010
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Beany flavor is a traditional sensory indicator for evaluating the quality of Radix Astragali (RA or "Huangqi" in Chinese). A RA root with a strong beany flavor is considered to be good quality in Chinese medicine. However, there is neither a study reporting volatile compounds contributing to RA beany flavor nor the relevance between beany flavor and the quality of RA. In this study, we assessed the quantification of beany flavor substance and main bioactive metabolites. The results showed that hexanal was a major volatile component contributing to the beany flavor in RA. The value of hexanal was significantly related to the origin and growth age of RA, indicating that the component could be used as a volatile indicator for the distinction of RA. Statistical analysis further demonstrated that hexanal, astragaloside IV, and total polysaccharides were primary indicators and total isoflavonoids, astragalosides, calycosin, and formononetin were the secondary indicators for quality control of RA. Correlation analysis showed that the level of hexanal was positively associated with the concentration of astragaloside IV and total polysaccharides. Our study demonstrated that aroma is one of the most important quality attributes of RA and will help to understand the role of aroma in quality assessment of traditional Chinese medicines.
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2-D RP/RPLC method to separate components in Fructus schisandrae chinensis.
J Sep Sci
PUBLISHED: 02-06-2010
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An off-line 2-D RP/RPLC method was developed to separate components in extracts of Fructus schisandrae chinensis, which is a traditional Chinese medicine. In this method, Click beta-CD stationary phase was proposed for constructing 2-D RP/RPLC system combined with C18 column. Beta-CD column showed great potential to separate compounds in traditional Chinese medicines under RP mode. Collected fractions from Click beta-CD column used in first dimension were resolved into many additional components, indicating that the 2-D LC system based on Click beta-CD and C18 phases is orthogonal. The mobile phase was same on both columns. This 2-D LC method facilitates us not only to separate components that cannot be resolved by unidimensional chromatography, but also to achieve much more efficient detection of minor sample components.
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Frequency of CD4(+)CD25(hi)FOXP3(+) regulatory T cells has diagnostic and prognostic value as a biomarker for acute graft-versus-host-disease.
Biol. Blood Marrow Transplant.
PUBLISHED: 01-13-2010
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The relationship between regulatory T cells (Tregs) and acute graft-versus-host disease (aGVHD) in clinical allogeneic bone marrow transplantation (BMT) recipients is not well established. We conducted a prospective analysis of peripheral blood Tregs as determined by the frequency of CD4(+)CD25(hi)FOXP3(+) lymphocytes in 215 BMT patients. Autologous BMT patients (N = 90) and allogeneic BMT patients without GVHD (N = 65) had similar Treg frequencies, whereas allogeneic patients with GVHD (N = 60) had Treg frequencies that were 40% less than those without GVHD. Treg frequencies decreased linearly with increasing grades of GVHD at onset, and correlated with eventual maximum grade of GVHD (P < .001). In addition, frequency of Tregs at onset of GVHD predicted the response to GVHD treatment (P = .003). Patients with Treg frequencies less than the median had higher nonrelapse mortality (NRM) than patients with Tregs greater than the median, but experienced equivalent relapse mortality, resulting in an inferior survival at 2 years (38% versus 63%, P = .03). Treg frequency may therefore have important prognostic value as a biomarker of aGVHD.
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Metabolomics study on the anti-depression effect of xiaoyaosan on rat model of chronic unpredictable mild stress.
J Ethnopharmacol
PUBLISHED: 01-06-2010
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Xiaoyaosan, a famous Chinese prescription, composed of Poria (Poria cocos (Schw.) Wolf), Radix Paeoniae Alba (Paeonia lactiflora Pall.), Radix Glycyrrhizae (Glycyrrhiza uralensis Fisch.), Radix Bupleuri (Bupleurum chinense DC.), Radix Angelicae Sinensis (Angelica sinensis (Oliv.) Diels), Rhizoma Atractylodis Macrocephalae (Atractylodes macrocephala Koidz.), Herba Menthae (Mentha haplocalyx Briq.), and Rhizoma Zingiberis Recens (Zingiber officinale Rosc.), has been widely used in the clinic for treating mental disorders. Behavior and biochemical analyses indicate xiaoyaosan has obvious anti-depression activity. However, there is no report on the effects of xiaoyaosan using a metabolomics approach.
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[Optimization of high performance liquid chromatographic method for analysis of extract of Fructus schisandrae chinensis].
Se Pu
PUBLISHED: 11-27-2009
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For the separation of the complex system of alcohol fraction of Fructus schisandrae chinensis, complex sample analysis system software (CSASS) was utilized to optimize the high performance liquid chromatographic (HPLC) conditions. The HPLC retention parameters a and c, and the peak shape parameters sigma and W1/2 were obtained accurately and rapidly by analyzing 4 linear gradient elutions. Based on the 4 parameters, the chromatogram in any gradient condition could be simulated and predicted precisely. The HPLC optimization method was developed using moved overlapping separation ranging map and simulated chromatogram technology. The HPLC analysis of the alcohol fraction of Fructus schisandrae chinensis could be finished in 40 min, and good resolution for components with general or low abundance was achieved. This method could be used to predict retention times and peak shapes of components in Fructus schisandrae chinensis. And based on the precise predicted results, the optimized separation conditions can be obtained.
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A ¹H-NMR plasma metabonomic study of acute and chronic stress models of depression in rats.
Behav. Brain Res.
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To investigate and compare the metabonomic profiles of three stress-based models of depression, the effects of acute and chronic stress on the production of systemic endogenous metabolites were investigated. Such metabonomic analysis may provide researchers a new way of selecting appropriate animal models for the study of depression and antidepressants. Rats were subjected to one of three stress-based models: CUMS, FST-1d, or FST-14d. Endogenous metabolites excreted in plasma were analyzed using NMR in conjunction with multivariate and statistical techniques. The metabonomic study indicated that the concentration of different plasma metabolites could be used to differentiate among depression models: TMA, aspartic acid, glutamate, AcAc, NAc, alanine, lactate, Leu/Ile, lipids increased and proline, ?-HB, valine decreased in the CUMS model; TMA decreased in the FST-1d model; ?-glucose, ?-glucose, ?-HB, valine and lipids increased in the FST-14d model. The results suggested that metabonomics is a potentially appropriate method for evaluating depression models. According to the metabonomics study, CUMS model was more suitable and sensitive than the acute FST-1d model and predictable FST-14d model. The CUMS model was more appropriate for investigating both the efficacy of antidepressants and their mechanisms of action, while the FST-14d model should only be used for evaluating the efficacy of treatment.
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Metabolic fingerprinting by 1HNMR for discrimination of the two species used as Radix Bupleuri.
Planta Med.
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Radix Bupleuri is a traditional Chinese medicine harvested from two Bupleurum species (B. chinense and B. scorzonerifolium). It is widely used and is sourced from different regions of China. 1H NMR spectroscopy and multivariate data analysis were applied to 67 Radix Bupleuri samples to discriminate the two species, and explore the influences of habitat and culture method on the quality of Radix Bupleuri based on their metabolomics profiles. Metabolites responsible for the differences between the two species were higher levels of arginine, citric acid, sucrose, saikosaponin b1/b2 analogs, volatile oil with an (E)-2-olefin aldehyde fragment, and fatty acids in B. scoreonerifolium, and more saikosaponin a/c/d analogs in B. chinense. The variances of two cultivation areas were observed due to the higher amount of saikosaponins a/c/d in samples from Shaanxi and lipidsin samples from Shanxi. No obvious difference was detected between cultivars and wild type. 1HNMR metabolomics can simultaneously detect saikosaponins and hydrocarbon aldehydes, and also differentiate the two main saikosaponin skeletons, making it a suitable tool for the species discrimination and quality evaluation of Radix Bupleuri.
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Identification and quantification of the major volatile constituents in antidepressant active fraction of xiaoyaosan by gas chromatography-mass spectrometry.
J Ethnopharmacol
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Xiaoyaosan (XYS), a well-known formula for relieving depression, was originated from the book of "Taiping Huimin Heji Jufang" in Song Dynasty (960-1127 AD), composed of Radix Bupleuri, Radix Angelicae Sinensis, Radix Paeoniae Alba, Rhizoma Atractylodis Macrocephalae, Poria, Herba Menthae, Rhizoma Zingiberis Recens and Radix Glycyrrhizae with dose proportion of 6:6:6:6:6:3:2:2. It is commonly used for the treatment of depression-related syndromes in China. In the formula, Radix Bupleuri usually serves as the principal drug, Radix Angelicae Sinensis and Radix Paeoniae Alba serve as the ministerial drugs, Rhizoma Atractylodis Macrocephalae, Poria, Herba Menthae and Rhizoma Zingiberis Recens serve as adjunctive drugs, Radix Glycyrrhizae serves as messenger drug, they coordinate with each other and enhance the effect of the formula. In our previous experiments, the antidepressant effect of XYS was revealed. However, the antidepressant part (or component) of this prescription was still obscure.
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