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[PMID]: 29374471 [Au] Autor: Abu N; Zamberi NR; Yeap SK; Nordin N; Mohamad NE; Romli MF; Rasol NE; Subramani T; Ismail NH; Alitheen NB [Ad] Endereço: UKM Molecular Biology Institute (UMBI), UKM Medical Center, Jalan Yaacob Latif, Bandar Tun Razak 56000 Cheras, Kuala Lumpur, Malaysia. [Ti] Título: Subchronic toxicity, immunoregulation and anti-breast tumor effect of Nordamnacantal, an anthraquinone extracted from the stems of Morinda citrifolia L. [So] Source: BMC Complement Altern Med;18(1):31, 2018 Jan 27. [Is] ISSN: 1472-6882 [Cp] País de publicação: England [La] Idioma: eng [Ab] Resumo: BACKGROUND: Morinda citrifolia L. that was reported with immunomodulating and cytotoxic effects has been traditionally used to treat multiple illnesses including cancer. An anthraquinone derived from fruits of Morinda citrifolia L., nordamnacanthal, is a promising agent possessing several in vitro biological activities. However, the in vivo anti-tumor effects and the safety profile of nordamnacanthal are yet to be evaluated. METHODS: In vitro cytotoxicity of nordamnacanthal was tested using MTT, cell cycle and Annexin V/PI assays on human MCF-7 and MDA-MB231 breast cancer cells. Mice were orally fed with nordamnacanthal daily for 28 days for oral subchronic toxicity study. Then, the in vivo anti-tumor effect was evaluated on 4T1 murine cancer cells-challenged mice. Changes of tumor size and immune parameters were evaluated on the untreated and nordamnacanthal treated mice. RESULTS: Nordamnacanthal was found to possess cytotoxic effects on MDA-MB231, MCF-7 and 4T1 cells in vitro. Moreover, based on the cell cycle and Annexin V results, nordamnacanthal managed to induce cell death in both MDA-MB231 and MCF-7 cells. Additionally, no mortality, signs of toxicity and changes of serum liver profile were observed in nordamnacanthal treated mice in the subchronic toxicity study. Furthermore, 50 mg/kg body weight of nordamncanthal successfully delayed the progression of 4T1 tumors in Balb/C mice after 28 days of treatment. Treatment with nordamnacanthal was also able to increase tumor immunity as evidenced by the immunophenotyping of the spleen and YAC-1 cytotoxicity assays. CONCLUSION: Nordamnacanthal managed to inhibit the growth and induce cell death in MDA-MB231 and MCF-7 cell lines in vitro and cease the tumor progression of 4T1 cells in vivo. Overall, nordamnacanthal holds interesting anti-cancer properties that can be further explored. [Mh] Termos MeSH primário: Aldeídos/farmacologia Antraquinonas/farmacologia Antineoplásicos/farmacologia Neoplasias da Mama/metabolismo Fatores Imunológicos/farmacologia Morinda/química Extratos Vegetais/farmacologia [Mh] Termos MeSH secundário: Aldeídos/química Aldeídos/toxicidade Animais Antraquinonas/química Antraquinonas/toxicidade Antineoplásicos/química Antineoplásicos/toxicidade Apoptose/efeitos dos fármacos Linhagem Celular Tumoral Feminino Seres Humanos Fatores Imunológicos/química Fatores Imunológicos/toxicidade Células MCF-7 Masculino Camundongos Camundongos Endogâmicos BALB C Extratos Vegetais/química Extratos Vegetais/toxicidade Testes de Toxicidade Subcrônica [Pt] Tipo de publicação: JOURNAL ARTICLE [Nm] Nome de substância: 0 (Aldehydes); 0 (Anthraquinones); 0 (Antineoplastic Agents); 0 (Immunologic Factors); 0 (Plant Extracts); 0 (nordamnacanthal) [Em] Mês de entrada: 1803 [Cu] Atualização por classe: 180305 [Lr] Data última revisão: 180305 [Sb] Subgrupo de revista: IM [Da] Data de entrada para processamento: 180129 [St] Status: MEDLINE [do] DOI: 10.1186/s12906-018-2102-3

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[PMID]: 29386454 [Au] Autor: Matsumoto A [Ad] Endereço: Department of Social Medicine, Saga University School of Medicine. [Ti] Título: [Importance of an Aldehyde Dehydrogenase 2 Polymorphism in Preventive Medicine]. [So] Source: Nihon Eiseigaku Zasshi;73(1):9-20, 2018. [Is] ISSN: 1882-6482 [Cp] País de publicação: Japan [La] Idioma: jpn [Ab] Resumo: Unlike genetic alterations in other aldehyde dehydrogenase (ALDH) isozymes, a defective ALDH2 polymorphism (rs671), which is carried by almost half of East Asians, does not show a clear phenotype such as a shortened life span. However, impacts of a defective ALDH2 allele, ALDH2*2, on various disease risks have been reported. As ALDH2 is responsible for the detoxification of endogenous aldehydes, a negative effect of this polymorphism is predicted, but bidirectional effects have been actually observed and the mechanisms underlying such influences are often complex. One reason for this complexity may be the existence of compensatory aldehyde detoxification systems and the secondary effects of these systems. There are many issues to be addressed with regard to the ALDH2 polymorphism in the field of preventive medicine, including the following concerns. First, ALDH2 in the fetal stage plays a role in aldehyde detoxification; therefore, prenatal health effects of environmental aldehyde exposure are of concern for ALDH2*2-carrying fetuses. Second, ALDH2*2 carriers are at high risk of drinking-related cancers. However, their drinking habits result in less worsening of physiological findings, such as energy metabolism index and liver functions, compared with non-ALDH2*2 carriers, and therefore opportunities to detect excessive drinking can be lost. Third, personalized medicine such as personalized prescriptions for ALDH2*2 carriers will be required in the clinical setting, and accumulation of evidence is awaited. Lastly, since the ALDH2 polymorphism is not considered in workers' limits of exposure to aldehydes and their precursors, efforts to lower exposure levels beyond legal standards are required. [Mh] Termos MeSH primário: Aldeído-Desidrogenase Mitocondrial/genética Aldeído-Desidrogenase Mitocondrial/fisiologia Aldeídos/efeitos adversos Aldeídos/metabolismo Estudos de Associação Genética Inativação Metabólica/genética Saúde do Trabalhador Polimorfismo Genético Medicina Preventiva [Mh] Termos MeSH secundário: Consumo de Bebidas Alcoólicas/genética Feminino Heterozigoto Seres Humanos Isoenzimas/genética Isoenzimas/fisiologia Estilo de Vida Exposição Materna/efeitos adversos Troca Materno-Fetal Exposição Ocupacional/efeitos adversos Exposição Ocupacional/prevenção & controle Gravidez Risco Estresse Fisiológico [Pt] Tipo de publicação: JOURNAL ARTICLE; REVIEW [Nm] Nome de substância: 0 (Aldehydes); 0 (Isoenzymes); EC 1.2.1.3 (ALDH2 protein, human); EC 1.2.1.3 (Aldehyde Dehydrogenase, Mitochondrial) [Em] Mês de entrada: 1802 [Cu] Atualização por classe: 180228 [Lr] Data última revisão: 180228 [Sb] Subgrupo de revista: IM [Da] Data de entrada para processamento: 180202 [St] Status: MEDLINE [do] DOI: 10.1265/jjh.73.9

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[PMID]: 28669223 [Au] Autor: Chokpaiboon S; Unagul P; Nithithanasilp S; Komwijit S; Somyong W; Ratiarpakul T; Isaka M; Bunyapaiboonsri T [Ad] Endereço: a National Center for Genetic Engineering and Biotechnology (BIOTEC) , National Science and Technology Development Agency (NSTDA) , Pathum Thani , Thailand. [Ti] Título: Salicylaldehyde and dihydroisobenzofuran derivatives from the marine fungus Zopfiella marina. [So] Source: Nat Prod Res;32(2):149-153, 2018 Jan. [Is] ISSN: 1478-6427 [Cp] País de publicação: England [La] Idioma: eng [Ab] Resumo: Two salicylaldehyde derivatives (1 and 2), a hydroxymethylphenol (3), five dihydroisobenzofuran (4-8) derivatives, and a 5-chloro-3-deoxyisoochracinic acid (9), together with a known 3-deoxyisoochracinic acid (10) were isolated from the marine fungus Zopfiella marina BCC 18240 (or NBRC 30420). The structures of these compounds were elucidated by extensive spectroscopic analysis. Compound 1 showed weak antituberculous activity against Mycobacterium tuberculosis H37Ra, and antibacterial activity against Bacillus cereus with MIC values of 25 and 12.5 µg/mL, respectively. [Mh] Termos MeSH primário: Aldeídos/isolamento & purificação Antibacterianos/isolamento & purificação Benzofuranos/isolamento & purificação Fungos/química [Mh] Termos MeSH secundário: Aldeídos/farmacologia Antibacterianos/química Antibacterianos/farmacologia Bacillus cereus/efeitos dos fármacos Biologia Marinha Testes de Sensibilidade Microbiana Estrutura Molecular Mycobacterium tuberculosis/efeitos dos fármacos Análise Espectral [Pt] Tipo de publicação: JOURNAL ARTICLE [Nm] Nome de substância: 0 (Aldehydes); 0 (Anti-Bacterial Agents); 0 (Benzofurans); 17K64GZH20 (salicylaldehyde) [Em] Mês de entrada: 1802 [Cu] Atualização por classe: 180228 [Lr] Data última revisão: 180228 [Sb] Subgrupo de revista: IM [Da] Data de entrada para processamento: 170704 [St] Status: MEDLINE [do] DOI: 10.1080/14786419.2017.1342083

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[PMID]: 29379007 [Au] Autor: Ye CX; Melcamu YY; Li HH; Cheng JT; Zhang TT; Ruan YP; Zheng X; Lu X; Huang PQ [Ad] Endereço: Department of Chemistry and Fujian Provincial Key Laboratory of Chemical Biology, College of Chemistry and Chemical Engineering, Xiamen University, Xiamen, Fujian, 361005, China. [Ti] Título: Dual catalysis for enantioselective convergent synthesis of enantiopure vicinal amino alcohols. [So] Source: Nat Commun;9(1):410, 2018 01 29. [Is] ISSN: 2041-1723 [Cp] País de publicação: England [La] Idioma: eng [Ab] Resumo: Enantiopure vicinal amino alcohols and derivatives are essential structural motifs in natural products and pharmaceutically active molecules, and serve as main chiral sources in asymmetric synthesis. Currently known asymmetric catalytic protocols for this class of compounds are still rare and often suffer from limited scope of substrates, relatively low regio- or stereoselectivities, thus prompting the development of more effective methodologies. Herein we report a dual catalytic strategy for the convergent enantioselective synthesis of vicinal amino alcohols. The method features a radical-type Zimmerman-Traxler transition state formed from a rare earth metal with a nitrone and an aromatic ketyl radical in the presence of chiral N,N'-dioxide ligands. In addition to high level of enantio- and diastereoselectivities, our synthetic protocol affords advantages of simple operation, mild conditions, high-yielding, and a broad scope of substrates. Furthermore, this protocol has been successfully applied to the concise synthesis of pharmaceutically valuable compounds (e.g., ephedrine and selegiline). [Mh] Termos MeSH primário: Aldeídos/química Amino Álcoois/síntese química Técnicas de Química Sintética Ácidos de Lewis/química Óxidos de Nitrogênio/química [Mh] Termos MeSH secundário: Catálise Luz Oxirredução Processos Fotoquímicos Estereoisomerismo [Pt] Tipo de publicação: JOURNAL ARTICLE; RESEARCH SUPPORT, NON-U.S. GOV'T [Nm] Nome de substância: 0 (Aldehydes); 0 (Amino Alcohols); 0 (Lewis Acids); 0 (Nitrogen Oxides); 0 (nitrones) [Em] Mês de entrada: 1802 [Cu] Atualização por classe: 180227 [Lr] Data última revisão: 180227 [Sb] Subgrupo de revista: IM [Da] Data de entrada para processamento: 180131 [St] Status: MEDLINE [do] DOI: 10.1038/s41467-017-02698-4

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[PMID]: 29301400 [Au] Autor: Clark AC; Deed RC [Ad] Endereço: School of Agricultural and Wine Sciences, Charles Sturt University , Locked Bag 588, Wagga Wagga, New South Wales 2678, Australia. [Ti] Título: The Chemical Reaction of Glutathione and trans-2-Hexenal in Grape Juice Media To Form Wine Aroma Precursors: The Impact of pH, Temperature, and Sulfur Dioxide. [So] Source: J Agric Food Chem;66(5):1214-1221, 2018 Feb 07. [Is] ISSN: 1520-5118 [Cp] País de publicação: United States [La] Idioma: eng [Ab] Resumo: The aldehyde 3-S-glutathionylhexanal is an intermediate which is produced during the formation of the wine aroma precursor 3-S-glutathionylhexanol, after the reaction of glutathione with trans-2-hexenal. This study was conducted to assess whether the chemical, as opposed to the enzymatic, production of 3-S-glutathionylhexanal could occur at a significant rate in grape juice. LC-MS/MS was used in low- and high-resolution modes, in combination with functional group derivatization, to identify and quantitate products. In comparison to cysteine, glutathione was found to induce less cyclized products on reaction with trans-2-alkanals and the glutathione-derived products were more reactive to hydrogen sulfite. The zero-order rates for 3-S-glutathionylhexanal formation in model grape juice were 1.08 ± 0.08 and 0.45 ± 0.05 mg/(L·day) glutathione equivalents at 25 and 13 °C, respectively, and the reaction rate increased 3-fold by increasing the pH from 3.2 to 3.8. 3-S-Glutathionylhexanal was detected in all five white grape juices examined. The concentration of the aldehyde could be increased by up to 10-fold after being released from hydrogen sulfite, demonstrating a potentially novel source for the production of varietal thiol aroma compounds in wine. [Mh] Termos MeSH primário: Aldeídos/síntese química Glutationa/química Dióxido de Enxofre/química Vitis/química [Mh] Termos MeSH secundário: Aldeídos/química Cisteína/química Frutas/química Sucos de Frutas e Vegetais Concentração de Íons de Hidrogênio Cinética Olfato Temperatura Ambiente Vinho [Pt] Tipo de publicação: JOURNAL ARTICLE [Nm] Nome de substância: 0 (Aldehydes); 0UZA3422Q4 (Sulfur Dioxide); 505-57-7 (2-hexenal); GAN16C9B8O (Glutathione); K848JZ4886 (Cysteine) [Em] Mês de entrada: 1802 [Cu] Atualização por classe: 180226 [Lr] Data última revisão: 180226 [Sb] Subgrupo de revista: IM [Da] Data de entrada para processamento: 180106 [St] Status: MEDLINE [do] DOI: 10.1021/acs.jafc.7b04991

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[PMID]: 29342183 [Au] Autor: Nixon LJ; Morrison WR; Rice KB; Brockerhoff EG; Leskey TC; Guzman F; Khrimian A; Goldson S; Rostás M [Ad] Endereço: Bio-Protection Research Centre, Lincoln University, Lincoln, Canterbury, New Zealand. [Ti] Título: Identification of volatiles released by diapausing brown marmorated stink bug, Halyomorpha halys (Hemiptera: Pentatomidae). [So] Source: PLoS One;13(1):e0191223, 2018. [Is] ISSN: 1932-6203 [Cp] País de publicação: United States [La] Idioma: eng [Ab] Resumo: The brown marmorated stink bug, Halyomorpha halys, is an agricultural and urban pest that has become widely established as an invasive species of major concern in the USA and across Europe. This species forms large aggregations when entering diapause, and it is often these aggregations that are found by officials conducting inspections of internationally shipped freight. Identifying the presence of diapausing aggregations of H. halys using their emissions of volatile organic compounds (VOCs) may be a potential means for detecting and intercepting them during international freight inspections. Headspace samples were collected from aggregations of diapausing H. halys using volatile collection traps (VCTs) and solid phase microextraction. The only compound detected in all samples was tridecane, with small amounts of (E)-2-decenal found in most samples. We also monitored the release of defensive odors, following mechanical agitation of diapausing and diapause-disrupted adult H. halys. Diapausing groups were significantly more likely to release defensive odors than diapause-disrupted groups. The predominant compounds consistently found from both groups were tridecane, (E)-2-decenal, and 4-oxo-(E)-2-hexenal, with a small abundance of dodecane. Our findings show that diapausing H. halys do release defensive compounds, and suggest that volatile sampling may be feasible to detect H. halys in freight. [Mh] Termos MeSH primário: Heterópteros/química Odorantes/análise Compostos Orgânicos Voláteis/química [Mh] Termos MeSH secundário: Aldeídos/análise Alcanos/análise Alcenos/análise Animais Diapausa Cromatografia Gasosa-Espectrometria de Massas Heterópteros/crescimento & desenvolvimento Heterópteros/fisiologia [Pt] Tipo de publicação: JOURNAL ARTICLE; RESEARCH SUPPORT, NON-U.S. GOV'T [Nm] Nome de substância: 0 ((2E)-decenal); 0 (4-oxo-(E)-2-hexenal); 0 (Aldehydes); 0 (Alkanes); 0 (Alkenes); 0 (Volatile Organic Compounds); 11A386X1QH (n-dodecane); A3LZF0L939 (tridecane) [Em] Mês de entrada: 1802 [Cu] Atualização por classe: 180221 [Lr] Data última revisão: 180221 [Sb] Subgrupo de revista: IM [Da] Data de entrada para processamento: 180118 [St] Status: MEDLINE [do] DOI: 10.1371/journal.pone.0191223

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[PMID]: 29208521 [Au] Autor: Bae D; Gautam J; Jang H; Banskota S; Lee SY; Jeong MJ; Kim AS; Kim HC; Lee IH; Nam TG; Kim JA; Jeong BS [Ad] Endereço: College of Pharmacy and Institute for Drug Research, Yeungnam University, Gyeongsan 38541, Republic of Korea. [Ti] Título: Protective effects of 6-ureido/thioureido-2,4,5-trimethylpyridin-3-ols against 4-hydroxynonenal-induced cell death in adult retinal pigment epithelial-19 cells. [So] Source: Bioorg Med Chem Lett;28(2):107-112, 2018 01 15. [Is] ISSN: 1464-3405 [Cp] País de publicação: England [La] Idioma: eng [Ab] Resumo: Dysfunction or progressive degeneration of retinal pigment epithelium (RPE) contributes in the initial pathogenesis of age-related macular degeneration (AMD) causing irreversible vision loss, which makes RPE the prime target of the disease. The present study aimed to identify compounds to protect 4-hydroxynonenal (4-HNE)-induced RPE cell death by inhibiting NADPH oxidase 4 (NOX4) activity, not just as free radical scavengers, using ARPE-19, a human adult retinal pigment epithelial cell line, as a RPE representative. Novel thirty-two 6-ureido/thioureido-2,4,5-trimethylpyridin-3-ol derivatives 17 were synthesized and tested. We found that there was a strong correlation between level of protective effect of compounds 17 against 4-HNE-induced APRE-19 cell death and that of inhibitory activity against 4-HNE-induced superoxide production, and that most of the compounds 17 showed minimal DPPH radical scavenging activity. Compound 17-28 showed the best protective activity against 4-HNE-induced superoxide production (79.5% inhibition) and cell death (85.1% recovery) at 10 µM concentration, which was better than that of VAS2870, a NOX2/4 inhibitor. In addition, compound 17-28 blocked 4-HNE-induced apoptosis of ARPE-19 cells in a concentration-dependent manner. The results indicate that compound 17-28 may be a lead compound to develop AMD therapeutics. [Mh] Termos MeSH primário: Aldeídos/antagonistas & inibidores Inibidores Enzimáticos/farmacologia Piridinas/farmacologia [Mh] Termos MeSH secundário: Adulto Aldeídos/farmacologia Morte Celular/efeitos dos fármacos Linhagem Celular Sobrevivência Celular/efeitos dos fármacos Relação Dose-Resposta a Droga Inibidores Enzimáticos/síntese química Inibidores Enzimáticos/química Seres Humanos Estrutura Molecular NADPH Oxidase 4/antagonistas & inibidores NADPH Oxidase 4/metabolismo Piridinas/síntese química Piridinas/química Relação Estrutura-Atividade Superóxidos/antagonistas & inibidores Superóxidos/metabolismo [Pt] Tipo de publicação: JOURNAL ARTICLE; RESEARCH SUPPORT, NON-U.S. GOV'T [Nm] Nome de substância: 0 (Aldehydes); 0 (Enzyme Inhibitors); 0 (Pyridines); 11062-77-4 (Superoxides); EC 1.6.3.- (NADPH Oxidase 4); EC 1.6.3.- (NOX4 protein, human); K1CVM13F96 (4-hydroxy-2-nonenal) [Em] Mês de entrada: 1802 [Cu] Atualização por classe: 180216 [Lr] Data última revisão: 180216 [Sb] Subgrupo de revista: IM [Da] Data de entrada para processamento: 171207 [St] Status: MEDLINE

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[PMID]: 29197938 [Au] Autor: Kong L; Chang C [Ad] Endereço: College of Life Sciences, Qingdao University, Qingdao, 266071, China. [Ti] Título: Suppression of wheat TaCDK8/TaWIN1 interaction negatively affects germination of Blumeria graminis f.sp. tritici by interfering with very-long-chain aldehyde biosynthesis. [So] Source: Plant Mol Biol;96(1-2):165-178, 2018 Jan. [Is] ISSN: 1573-5028 [Cp] País de publicação: Netherlands [La] Idioma: eng [Ab] Resumo: KEY MESSAGE: Wheat TaCDK8 interacts with TaWIN1 to regulate very-long-chain aldehyde biosynthesis required for efficient germination of Blumeria graminis f.sp. tritici. Powdery mildew caused by Blumeria graminis f.sp. tritici (Bgt) is a devastating disease of common wheat (Triticum aestivum L.). Bgt infection initiates with its conidia germination on the aerial surface of wheat. In this study, we isolated the cyclin-dependent kinase 8 (TaCDK8) from wheat cultivar Jing411 and found that silencing of TaCDK8 impeded Bgt germination. The biochemical and molecular-biological assays revealed that TaCDK8 interacts with and phosphorylates the wheat transcription factor wax inducer 1 (TaWIN1) to stimulate the TaWIN1-dependent transcription. Bgt conidia on the leaves of TaWIN1-silenced plants also showed reduced germination. Gas chromatographic analysis revealed that knockdown of TaCDK8 or TaWIN1 resulted in decreases of wax components and cutin monomers in wheat leaves. Moreover, Bgt germination on leaves of TaCDK8 or TaWIN1 silenced plants could be fully restored by application of wild-type cuticular wax. In vitro studies demonstrated that very-long-chain aldehydes absent from the cuticular wax of the TaCDK8 or TaWIN1 silenced plants were capable of chemically stimulating Bgt germination. These results implicated that the suppression of TaCDK8/TaWIN1 interaction negatively affects Bgt germination by interfering with very-long-chain aldehyde biosynthesis required for efficient fungal germination. [Mh] Termos MeSH primário: Aldeídos/metabolismo Ascomicetos/patogenicidade Proteínas de Plantas/metabolismo Triticum/metabolismo Triticum/microbiologia [Mh] Termos MeSH secundário: Ascomicetos/fisiologia Quinase 8 Dependente de Ciclina/genética Quinase 8 Dependente de Ciclina/metabolismo Germinação/genética Germinação/fisiologia Interações Hospedeiro-Patógeno/genética Interações Hospedeiro-Patógeno/fisiologia Doenças das Plantas/microbiologia Folhas de Planta/genética Folhas de Planta/metabolismo Folhas de Planta/microbiologia Proteínas de Plantas/genética Triticum/genética [Pt] Tipo de publicação: JOURNAL ARTICLE [Nm] Nome de substância: 0 (Aldehydes); 0 (Plant Proteins); EC 2.7.11.22 (Cyclin-Dependent Kinase 8) [Em] Mês de entrada: 1802 [Cu] Atualização por classe: 180212 [Lr] Data última revisão: 180212 [Sb] Subgrupo de revista: IM [Da] Data de entrada para processamento: 171204 [St] Status: MEDLINE [do] DOI: 10.1007/s11103-017-0687-4

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[PMID]: 29323846 [Au] Autor: Nosik NN; Nosik DN; Chizhov AI [Ti] Título: A comparative analysis of virucidal efficiency of biocide agents. [So] Source: Vopr Virusol;62(1):41-5, 2017. [Is] ISSN: 0507-4088 [Cp] País de publicação: Russia (Federation) [La] Idioma: eng [Ab] Resumo: The main groups of biocide agents used for inactivation of bacteria and viruses were studied for their virucidal activity against enveloped (HIV, viral hepatitis C, influenza virus A) and non-enveloped viruses (poliovirus, adenovirus). Their efficiency was analyzed. Quarterly ammonium compounds (QAC) themselves are not able to properly inactivate non-enveloped viruses. However, they can be successfully applied in combination with other biocides (guanidines, aldehydes). Effective composition of QAC with amines and guanidines provided inactivation of viruses (4.0 lgTCID50) in concentrations of 0.166-0.280% for non-enveloped viruses and 0.080-00.185% for enveloped viruses. The combination of QAC with aldehydes is especially effective (0.04-0.64% for non-enveloped viruses). The virucidal efficiency does not directly depend on the QAC concentration in the chemical disinfectants. [Mh] Termos MeSH primário: Aldeídos/farmacologia Desinfetantes/farmacologia Guanidinas/farmacologia Compostos de Amônio Quaternário/farmacologia Inativação de Vírus [Mh] Termos MeSH secundário: Adenoviridae/efeitos dos fármacos Adenoviridae/fisiologia Aldeídos/química Desinfetantes/química Guanidinas/química HIV/efeitos dos fármacos HIV/fisiologia Hepacivirus/efeitos dos fármacos Hepacivirus/fisiologia Vírus da Influenza A/efeitos dos fármacos Vírus da Influenza A/fisiologia Poliovirus/efeitos dos fármacos Poliovirus/fisiologia Compostos de Amônio Quaternário/química Relação Estrutura-Atividade [Pt] Tipo de publicação: COMPARATIVE STUDY; JOURNAL ARTICLE [Nm] Nome de substância: 0 (Aldehydes); 0 (Disinfectants); 0 (Guanidines); 0 (Quaternary Ammonium Compounds) [Em] Mês de entrada: 1802 [Cu] Atualização por classe: 180208 [Lr] Data última revisão: 180208 [Sb] Subgrupo de revista: IM [Da] Data de entrada para processamento: 180112 [St] Status: MEDLINE

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[PMID]: 27775357 [Au] Autor: Wang C; Zhao C; Hu L; Chen H [Ad] Endereço: Beijing National Laboratory for Molecular Sciences (BNLMS), CAS Key Laboratory of Photochemistry, Institute of Chemistry, Chinese Academy of Sciences , Beijing 100190, People's Republic of China. [Ti] Título: Calculated Mechanism of Cyanobacterial Aldehyde-Deformylating Oxygenase: Asymmetric Aldehyde Activation by a Symmetric Diiron Cofactor. [So] Source: J Phys Chem Lett;7(21):4427-4432, 2016 Nov 03. [Is] ISSN: 1948-7185 [Cp] País de publicação: United States [La] Idioma: eng [Ab] Resumo: Cyanobacterial aldehyde-deformylating oxygenase (cADO) is a nonheme diiron enzyme that catalyzes the conversion of aldehyde to alk(a/e)ne, an important transformation in biofuel research. In this work, we report a highly desired computational study for probing the mechanism of cADO. By combining our QM/MM results with the available Fe Mössbauer spectroscopic data, the gained detailed structural information suggests construction of asymmetry from the symmetric diiron cofactor in an aldehyde substrate and O activation. His , one of the two iron-coordinate histidine residues in cADO, plays a pivotal role in this asymmetric aldehyde activation process by unprecedented reversible dissociation from the diiron cofactor, a behavior unknown in any other nonheme dinuclear or mononuclear enzymes. The revealed intrinsically asymmetric interactions of the substrate/O with the symmetric cofactor in cADO are inspirational for exploring diiron subsite resolution in other nonheme diiron enzymes. [Mh] Termos MeSH primário: Aldeídos/química Cianobactérias/química Oxigenases/química [Mh] Termos MeSH secundário: Catálise Oxirredução [Pt] Tipo de publicação: LETTER [Nm] Nome de substância: 0 (Aldehydes); EC 1.13.- (Oxygenases) [Em] Mês de entrada: 1802 [Cu] Atualização por classe: 180202 [Lr] Data última revisão: 180202 [Sb] Subgrupo de revista: IM [Da] Data de entrada para processamento: 161104 [St] Status: MEDLINE

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1			PalavrasDescritor de assuntoDescritor de assunto primárioLimitesAutorPalavras do títuloPalavras do resumoIdiomaPaís de publicaçãoNome de substânciaNome de pessoa como assuntoRevistaAssunto de RevistaISSNTipo de publicaçãoIdentificador únicoMês de entradaAno de publicaçãoTexto completoAtualização por classeCategoria DeCSCategoria DeCS explodidaCategoria CID-10SubSetsPais de AfiliaçãoAfiliaçãoAfiliação 2
2	and or and not		PalavrasDescritor de assuntoDescritor de assunto primárioLimitesAutorPalavras do títuloPalavras do resumoIdiomaPaís de publicaçãoNome de substânciaNome de pessoa como assuntoRevistaAssunto de RevistaISSNTipo de publicaçãoIdentificador únicoMês de entradaAno de publicaçãoTexto completoAtualização por classeCategoria DeCSCategoria DeCS explodidaCategoria CID-10SubSetsPais de AfiliaçãoAfiliaçãoAfiliação 2
3	and or and not		PalavrasDescritor de assuntoDescritor de assunto primárioLimitesAutorPalavras do títuloPalavras do resumoIdiomaPaís de publicaçãoNome de substânciaNome de pessoa como assuntoRevistaAssunto de RevistaISSNTipo de publicaçãoIdentificador únicoMês de entradaAno de publicaçãoTexto completoAtualização por classeCategoria DeCSCategoria DeCS explodidaCategoria CID-10SubSetsPais de AfiliaçãoAfiliaçãoAfiliação 2

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