Structure—Activity Relationship Studies of Ethyl 2-[(3-Methyl-2,5-dioxo(3-pyrrolinyl))amino] -4-(trifluoromethyl)pyrimidine-5-carboxylate: An Inhibitor of AP-1 and NF-ϰB Mediated Gene Expression.

ChemInform ◽  
2003 ◽  
Vol 34 (2) ◽  
Author(s):  
Moorthy S. S. Palanki ◽  
Leah M. Gayo-Fung ◽  
Graziella I. Shevlin ◽  
Paul Erdman ◽  
Mark Sato ◽  
...  
Keyword(s):  
Gene Expression ◽  
Structure Activity Relationship ◽  
Activity Relationship ◽  
Structure Activity

The Structure-Activity Relationship and Molecular Mechanism of Anti-tumor Polysaccharide Isolated from Dendrobium nobile Lindl.

2018 ◽  
Vol 17 (2) ◽  
pp. 153-163
Author(s):  
Zhang Yan ◽  
Wang Jun-Hui ◽  
Luo Jian-Ping ◽  
Zhang Qiang ◽  
Lu Jie
Keyword(s):  
Gene Expression ◽  
Molecular Mechanism ◽  
Hepg2 Cells ◽  
Caspase 3 ◽  
Structure Activity Relationship ◽  
Activity Relationship ◽  
Caspase 9 ◽  
Dendrobium Nobile ◽  
Structure Activity ◽  
Dendrobium Nobile Lindl

In this study, structure-activity relationship and molecular mechanism of anti-tumor polysaccharide isolated from the stems of Dendrobium nobile Lindl. were investigated. The sulfate and enzymatic analysis were employed to modify polysaccharide DNP-W1A, a fraction of polysaccharide isolated from D. nobile. Nine sulfated derivative fragments (S1–S9) and three fragments after enzymatic digestion (PE1, PE2 and PE3) were obtained using chloro-sulfonic acid and enzymatic methods, respectively. The activities experiment demonstrated that S1–S9, PE1, PE2 and PE3 showed significant anti-tumor activities in a dose-dependent manner (P < 0.05) in vitro. Annexin-FITC/PI results indicated that PE2 promoted the apoptosis of HepG2 cells at the highest rate of 19.3% compared with other fragments. Also, PE2 significantly increased the gene expression levels of Bax, Caspase-3 and Caspase-9 and suppressed the gene expression of Bcl-2 (P < 0.01). Meanwhile, HepG2 cells treated with polysaccharide resulted in suppressed P-AKT expression, and PE2 induced the lowest protein level of P-AKT compared with other fragments. The results concluded that polysaccharide DNP-W1A and its derivatives induced HepG2 cells apoptosis by up-regulating the gene expressions of Bax, Bcl-2, Caspase-3 and Caspase-9 and inhibiting the PI3K/AKT signaling pathway.

scholarly journals A Novel Approach for a Toxicity Prediction Model of Environmental Pollutants by Using a Quantitative Structure-Activity Relationship Method Based on Toxicogenomics

2011 ◽  
Vol 2011 ◽  
pp. 1-9 ◽  
Author(s):  
Junichi Hosoya ◽  
Kumiko Tamura ◽  
Naomi Muraki ◽  
Hiroki Okumura ◽  
Tsuyoshi Ito ◽  
...  
Keyword(s):  
Gene Expression ◽  
Prediction Model ◽  
Environmental Pollutants ◽  
Quantitative Structure Activity Relationship ◽  
Structure Activity Relationship ◽  
Activity Relationship ◽  
Quantitative Structure ◽  
Toxicity Prediction ◽  
Human Lung Cells ◽  
Structure Activity

The development of automobile emission reduction technologies has decreased dramatically the particle concentration in emissions; however, there is a possibility that unexpected harmful chemicals are formed in emissions due to new technologies and fuels. Therefore, we attempted to develop new and efficient toxicity prediction models for the myriad environmental pollutants including those in automobile emissions. We chose 54 compounds related to engine exhaust and, by use of the DNA microarray, examined their effect on gene expression in human lung cells. We focused on IL-8 as a proinflammatory cytokine and developed a prediction model with quantitative structure-activity relationship (QSAR) for the IL-8 gene expression by using an in silico system. Our results demonstrate that this model showed high accuracy in predicting upregulation of the IL-8 gene. These results suggest that the prediction model with QSAR based on the gene expression from toxicogenomics may have great potential in predictive toxicology of environmental pollutants.

scholarly journals Effect of Garlic Organic Sulfides on Gene Expression Profiling in HepG2 Cells and Its Biological Function Analysis by Ingenuity Pathway Analysis System and Bio-Plex-Based Assays

2021 ◽  
Vol 2021 ◽  
pp. 1-14
Author(s):  
Chenghao Lv ◽  
Caiqiong Wang ◽  
Ping Li ◽  
Yiwen Huang ◽  
Xiangyang Lu ◽  
...  
Keyword(s):  
Gene Expression ◽  
Gene Expression Profiling ◽  
Microarray Data ◽  
Expression Profiling ◽  
Structure Activity Relationship ◽  
Activity Relationship ◽  
Organic Sulfides ◽  
Structure Activity ◽  
Molecular Functions ◽  
Relationship Of

Garlic organic sulfides are dietary bioactive components with multiple biofunctions to prevent chronic diseases/inflammation and promote human health. DADS (diallyl disulfide), DATS (diallyl trisulfide), and DTS (diallyl tetrasulfide) are typical organic sulfides with similar structures from garlic. However, the structure-activity relationship of garlic organic sulfides remained unknown. The aim of the present study was to investigate the effect of DADS, DATS, and DTS on the gene expression profiling of human hepatocellular carcinoma cells (HepG2) by application of microarray and specialized analysis software, GO, Bio-Plex-based cytokines assay and IPA and analyze their structure-activity relationship according to antioxidant, anti-inflammatory, and metabolic-related properties. According to the microarray data, with the increase of S atom in garlic organic sulfides, its biological activity was gradually enhanced. In the general catalog of GO, garlic organic sulfides mainly affect biological process, molecular function, and cellular component. RT-qPCR results indicated that the microarray data is trustworthy, and the structure-activity analysis data found that more sulfur atoms have more powerful properties; thus, microarray data of DTS was preceded to the subsequent IPA analysis. The results of IPA analysis showed that the top 5 signaling pathways and molecular functions were disturbed by DTS; the molecular functions with the highest scores affected by DTS are cancer, cell apoptosis, and cell proliferation, which imply that the occurrence or metabolism of these diseases is related to the differential expression of the above-mentioned related genes and the activation of signaling channels, and the core of the most significant molecular network is inflammation. Finally, the results found that the secretions of 6 cytokines in macrophages were significantly inhibited by DTS treatment. This is the first study that analyzed the structure-activity relationship of garlic organic sulfides, which will provide useful genetic information for its multi-biofunction and promote their clinical application in the near future.

scholarly journals Structure-Activity Relationship of Mono-Ion Complexes for Plasmid DNA Delivery by Muscular Injection

Pharmaceutics ◽  
2021 ◽  
Vol 13 (1) ◽  
pp. 78
Author(s):  
Amika Mori ◽  
Yuki Kobayashi ◽  
Kei Nirasawa ◽  
Yoichi Negishi ◽  
Shoichiro Asayama
Keyword(s):  
Gene Expression ◽  
Plasmid Dna ◽  
Serum Proteins ◽  
Particle Diameter ◽  
Structure Activity Relationship ◽  
Charge Ratio ◽  
Activity Relationship ◽  
Structure Activity ◽  
A Charge ◽  
Relationship Of

The structure-activity relationship of mono-ion complexes (MICs) for plasmid DNA (pDNA) delivery by muscular injection is demonstrated. MICs were formed between pDNA and monocationic poly(ethylene glycol) (PEG) macromolecules. As monocationic PEGs, the ω-amide-pentylimidazolium (APe-Im) end-modified PEGs with a stable amide (Am) and hydrolytic ester (Es) bond, that is, APe-Im-Am-PEG and APe-Im-Es-PEG, respectively, are synthesized. The difference between the APe-Im-Am-PEG and APe-Im-Es-PEG was only a spacer structure between a terminal cation and a PEG chain. The resulting pDNA MICs with APe-Im-Am-PEG at a charge ratio (+/−) of 32 or 64 were more stable than those with APe-Im-Es-PEG in the presence of serum proteins. The highest gene expression by muscular injection was achieved using the APe-Im-Am-PEG/pDNA MIC at a charge ratio (+/−) of 32 with a smaller particle diameter of approximately 50 nm, as compared to that charge ratio of 64. Consequently, the pDNA MIC with the monocationic PEG with a stable amide spacer, as compared to a hydrolytic ester spacer, is considered to be suitable for the highest gene expression by muscular injection.

Structure-activity relationship of (-) mammea A/BB derivatives against Leishmania amazonensis

Planta Medica ◽  
2008 ◽  
Vol 74 (09) ◽  
Author(s):  
MA Brenzan ◽  
CV Nakamura ◽  
BPD Filho ◽  
T Ueda-Nakamura ◽  
MCM Young ◽  
...  
Keyword(s):  
Structure Activity Relationship ◽  
Leishmania Amazonensis ◽  
Activity Relationship ◽  
Structure Activity ◽  
Relationship Of
Sign in / Sign up

Export Citation Format

Share Document