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 | Acesso ao texto completo restrito à biblioteca da Embrapa Agricultura Digital. Para informações adicionais entre em contato com cnptia.biblioteca@embrapa.br. |
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Registro Completo |
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Biblioteca(s): |
Embrapa Agricultura Digital. |
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Data corrente: |
20/04/2006 |
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Data da última atualização: |
17/01/2020 |
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Tipo da produção científica: |
Resumo em Anais de Congresso |
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Autoria: |
GUELFI, A.; CHABREGAS, S. M.; FALCO, M. C.; FALCAO, P. R. K.; NESHICH, G.; AZEVEDO, R. A. |
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Afiliação: |
Esalq/USP; Centro de Tecnologia Canavieira, Piracicaba; Centro de Tecnologia Canavieira, Piracicaba; PAULA REGINA KUSER FALCAO, CNPTIA; GORAN NESIC, CNPTIA; Esalq/USP. |
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Título: |
Molecular dynamics analysis of glutathione transferases sugarcane mutants and their interactions with atrazine. |
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Ano de publicação: |
2005 |
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Fonte/Imprenta: |
In: X-MEETING; INTERNATIONAL CONFERENCE OF THE AB3C, 1., 2005, Caxambu. [Proceedings...]. [S.l.]: Associação Brasileira de Bioinformática e Biologia Computacional, 2005. |
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Páginas: |
p. 94. |
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Idioma: |
Inglês |
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Notas: |
X-meeting 2005. Presented posters. |
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Conteúdo: |
The glutathione transferases (GSTs; EC 2.5.1.18) consist of soluble and dimeric proteins, which are important in the metabolism of drugs and xenobiotics. GSTs have been found in virtually all plants, vertebrates, insects, yeasts and bacteria. These enzymes, with approximately 50 kDa, catalyze the conjugation of glutathione (GSH; gamma-Glu-Cys-Gly) with a broad variety of electrophilic compounds. The active site of these enzymes consists of two domains, the G-site where glutathione is attached and the H-site, the hydrophobic binding pocket. In crops, many herbicide families are susceptible to glutathione conjugation like triazinones, sulfonylureas and thiocarbamates. This conjugation is one of the major mechanisms of resistance found in plants, which protects plants from the presence of herbicides. One example is the accelerated atrazine detoxifícation via GSH conjugation in the resistant biotype of some weeds, due to enhanced kcat for GST activity. The knowledge of the mechanisms of resistance is important for the development of resistant varieties of commercial crops. Therefore, the present work aimed to characterize the ligand pocket of sugarcane GST I, propose mutants and analyze the interactions with the herbicide atrazine. The molecular modelings of mutants GST were carried out with Modeller 7v7. The program Gromacs 3.2 was used for energy minimization and molecular dynamics. STING was used for GST characterization and LPC software for GST-atrazine interactions of the proposed mutants. The analyses showed five main residues that might be important for the atrazine specificity: Leu10, Trp12, Phe35, Phe114 and Ile118. A molecular dynamics was used to study the mutants. First, each one of these residues was mutated for Ala. Second, once at a time the aliphatic (Leu, Ile) was changed for Phe and the aromatic (Phe, Trp) for Leu. Analyses at the ligand pocket residues, types of interactions, and the trajectories showed three mutations that could improve the GST catalyses. These mutations are Leu10Phe, Trp12Leu and Phe114Leu. Leu10Phe caused the occurrence of hydrophobic interactions between Phe10 with Met208, which reduced the strong influences of Trp12 at the active site. The mutation Trp12Leu removed the aromatic interferences between Trp12 and the aromatic ring of atrazine. A similar effect was seen with Phe114Leu. The mutation Phe35Leu suggested great instability, which agrees with literature. Finally, the substitution Ile118Phe introduced several aromatic interactions at the active site, increasing the affinity for atrazine and reducing the catalytic efficiency of GST. In order to confirm our observations, we are now working in the analyses "in vitro" in Centro de Tecnologia Canaviera (CTC). MenosThe glutathione transferases (GSTs; EC 2.5.1.18) consist of soluble and dimeric proteins, which are important in the metabolism of drugs and xenobiotics. GSTs have been found in virtually all plants, vertebrates, insects, yeasts and bacteria. These enzymes, with approximately 50 kDa, catalyze the conjugation of glutathione (GSH; gamma-Glu-Cys-Gly) with a broad variety of electrophilic compounds. The active site of these enzymes consists of two domains, the G-site where glutathione is attached and the H-site, the hydrophobic binding pocket. In crops, many herbicide families are susceptible to glutathione conjugation like triazinones, sulfonylureas and thiocarbamates. This conjugation is one of the major mechanisms of resistance found in plants, which protects plants from the presence of herbicides. One example is the accelerated atrazine detoxifícation via GSH conjugation in the resistant biotype of some weeds, due to enhanced kcat for GST activity. The knowledge of the mechanisms of resistance is important for the development of resistant varieties of commercial crops. Therefore, the present work aimed to characterize the ligand pocket of sugarcane GST I, propose mutants and analyze the interactions with the herbicide atrazine. The molecular modelings of mutants GST were carried out with Modeller 7v7. The program Gromacs 3.2 was used for energy minimization and molecular dynamics. STING was used for GST characterization and LPC software for GST-atrazine interactions of the p... Mostrar Tudo |
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Palavras-Chave: |
Bioinformática. |
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Thesagro: |
Atrazina. |
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Thesaurus Nal: |
Atrazine; Bioinformatics; Glutathione transferase. |
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Categoria do assunto: |
X Pesquisa, Tecnologia e Engenharia |
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Marc: |
LEADER 03631nam a2200253 a 4500
001 1008754
005 2020-01-17
008 2005 bl uuuu u00u1 u #d
100 1 $aGUELFI, A.
245 $aMolecular dynamics analysis of glutathione transferases sugarcane mutants and their interactions with atrazine.$h[electronic resource]
260 $aIn: X-MEETING; INTERNATIONAL CONFERENCE OF THE AB3C, 1., 2005, Caxambu. [Proceedings...]. [S.l.]: Associação Brasileira de Bioinformática e Biologia Computacional$c2005
300 $ap. 94.
500 $aX-meeting 2005. Presented posters.
520 $aThe glutathione transferases (GSTs; EC 2.5.1.18) consist of soluble and dimeric proteins, which are important in the metabolism of drugs and xenobiotics. GSTs have been found in virtually all plants, vertebrates, insects, yeasts and bacteria. These enzymes, with approximately 50 kDa, catalyze the conjugation of glutathione (GSH; gamma-Glu-Cys-Gly) with a broad variety of electrophilic compounds. The active site of these enzymes consists of two domains, the G-site where glutathione is attached and the H-site, the hydrophobic binding pocket. In crops, many herbicide families are susceptible to glutathione conjugation like triazinones, sulfonylureas and thiocarbamates. This conjugation is one of the major mechanisms of resistance found in plants, which protects plants from the presence of herbicides. One example is the accelerated atrazine detoxifícation via GSH conjugation in the resistant biotype of some weeds, due to enhanced kcat for GST activity. The knowledge of the mechanisms of resistance is important for the development of resistant varieties of commercial crops. Therefore, the present work aimed to characterize the ligand pocket of sugarcane GST I, propose mutants and analyze the interactions with the herbicide atrazine. The molecular modelings of mutants GST were carried out with Modeller 7v7. The program Gromacs 3.2 was used for energy minimization and molecular dynamics. STING was used for GST characterization and LPC software for GST-atrazine interactions of the proposed mutants. The analyses showed five main residues that might be important for the atrazine specificity: Leu10, Trp12, Phe35, Phe114 and Ile118. A molecular dynamics was used to study the mutants. First, each one of these residues was mutated for Ala. Second, once at a time the aliphatic (Leu, Ile) was changed for Phe and the aromatic (Phe, Trp) for Leu. Analyses at the ligand pocket residues, types of interactions, and the trajectories showed three mutations that could improve the GST catalyses. These mutations are Leu10Phe, Trp12Leu and Phe114Leu. Leu10Phe caused the occurrence of hydrophobic interactions between Phe10 with Met208, which reduced the strong influences of Trp12 at the active site. The mutation Trp12Leu removed the aromatic interferences between Trp12 and the aromatic ring of atrazine. A similar effect was seen with Phe114Leu. The mutation Phe35Leu suggested great instability, which agrees with literature. Finally, the substitution Ile118Phe introduced several aromatic interactions at the active site, increasing the affinity for atrazine and reducing the catalytic efficiency of GST. In order to confirm our observations, we are now working in the analyses "in vitro" in Centro de Tecnologia Canaviera (CTC).
650 $aAtrazine
650 $aBioinformatics
650 $aGlutathione transferase
650 $aAtrazina
653 $aBioinformática
700 1 $aCHABREGAS, S. M.
700 1 $aFALCO, M. C.
700 1 $aFALCAO, P. R. K.
700 1 $aNESHICH, G.
700 1 $aAZEVEDO, R. A.
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Embrapa Agricultura Digital (CNPTIA) |
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Registro Completo
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Biblioteca(s): |
Embrapa Cerrados. |
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Data corrente: |
22/02/2016 |
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Data da última atualização: |
22/02/2016 |
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Tipo da produção científica: |
Artigo em Periódico Indexado |
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Circulação/Nível: |
A - 2 |
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Autoria: |
PAULA, E. J. H. de; MARTINS, E. N.; OLIVEIRA, C. A. L. de; MAGNABOSCO, C. de U.; SAINZ, R. D.; GERON, L. J. V.; SOUZA NETO, E. L. de; PORTO, E. de P.; MIGUEL, G. Z. |
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Afiliação: |
EDSON JUNIOR HEITOR DE PAULA, UNEMAT; ELIAS NUNES MARTINS, UEM; CARLOS ANTONIO LOPES DE OLIVEIRA, UEM; CLAUDIO DE ULHOA MAGNABOSCO, CPAC; ROBERTO DANIEL SAINZ, UNIVERSIDADE DA CALIFORNIA; LUIZ JULIANO VALERIO GERON, UNEMAT; EURICO LUCAS DE SOUZA NETO, UNEMAT; EMILIA DE PAIVA PORTO, UENP; GIULIANNA ZILOCCHI MIGUEL, UNEMAT. |
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Título: |
Associations between reproductive and carcass traits in Nellore. |
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Ano de publicação: |
2015 |
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Fonte/Imprenta: |
Semina: Ciências Agrárias, Londrina, v. 36, n. 6, suplemento 2, p. 4423-4434, 2015 |
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DOI: |
10.5433/1679-0359.2015v36n6Supl2p4423 |
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Idioma: |
Inglês |
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Conteúdo: |
Objetivou-se com este trabalho estimar os parâmetros genéticos e os componentes de (co)variância para as características de carcaça: peso (PESO), área de olho de lombo (AOL), espessura de gordura subcutânea na garupa (EGP8) e entre a 12a e 13a costelas obtidas por ultrassom (EG); para as características ligadas à reprodução: idade ao primeiro parto (IPP), primeiro intervalo entre partos (PIEP), perímetro escrotal aos 450 e 550 dias de idade (PE450 e PE550) de animais da raça Nelore e verificar as associações entre estas características. Os parâmetros genéticos foram estimados em análises uni e bicaracter, em um modelo animal, por meio da inferência Bayesiana. O modelo utilizado, para todas as características, incluiu o efeito aleatório genético e a idade como covariável assumindo efeito quadrático. Incluiu também sexo, mês, ano de nascimento e manejo de criação como efeitos ambientais identificáveis para as características de carcaça. Para IPP, PIEP, PE450 e PE550, foram considerados apenas mês e ano de nascimento. As estimativas de herdabilidade de todas as características estudadas foram maiores nas análises bicaracter exceto para IPP e PIEP, que apresentaram 0,75 e 0,29, respectivamente, valores semelhantes nas análises unicaracter. As análises bicaracter resultaram em estimativas de herdabilidade a posteriori para as características PESO, AOL, EG, EGP8, PE450 e PE550 de 0,49, 0,66, 0,74, 0,68, 0,66 e 0,74 respectivamente, sugerindo a possibilidade de ganhos genéticos em curto prazo de tempo. As correlações genéticas entre IPP e as características de carcaça medidas por ultrassom foram próximas de zero. Comportamento semelhante foi encontrado para IPP, PE450 e PE550 dias indicando que a seleção para essas características não promoverá mudanças na IPP. Correlações genéticas altas (0,92, 0,93 e 0,94) foram encontradas entre as características AOL e PESO, EG e EGP8 e PE450 e PE550, respectivamente. ABSTRACT: The objective of this study was to estimate the genetic parameters and (co)variance of Nellore animals and to characterize the associations between these characteristics for the following carcass traits: weight (W), longissimus muscle area (LMA), rump fat thickness (RF) and fat thickness between the 12th and 13th ribs obtained by ultrasound (BF); also, the following reproductive traits: age at first calving (AFC), first calving interval (FCI), scrotal circumference at 450 and 550 days of age (SC450 and SC550). The genetic parameters were estimated by a single-trait and two traits animal model using Bayesian inference. The model used for all of the features included the genetic random effect and age as covariate assuming a quadratic effect. Additionally, sex, month and year of birth and management of creation and environmental effects identified were included for the carcass traits. For AFC, FCI and SC450 and SC550, we considered only the month and year of birth. The heritability estimates for all of the traits were higher in the two traits analysis, except for AFC and FCI, which showed 0.75 and 0.29, respectively, similar values in the single trait analysis. The two traits analyses resulted in heritability estimates for a posteriori for the features W, LMA, BF, RF, SC450 and SC550 of 0.49, 0.66, 0.74, 0.68 0.66 and 0.74, respectively, suggesting the possibility of genetic gains during a short period of time. The genetic correlations between AFC and carcass traits measured by ultrasound were close to zero. A similar trend was found for AFC, SC450 and SC550 days, indicating that the selection for these traits does not promote changes in AFC. High genetic correlations (0.92, 0.93 and 0.94) were observed between the characteristics LMA and W, BF and RF, and SC450 and SC550, respectively. MenosObjetivou-se com este trabalho estimar os parâmetros genéticos e os componentes de (co)variância para as características de carcaça: peso (PESO), área de olho de lombo (AOL), espessura de gordura subcutânea na garupa (EGP8) e entre a 12a e 13a costelas obtidas por ultrassom (EG); para as características ligadas à reprodução: idade ao primeiro parto (IPP), primeiro intervalo entre partos (PIEP), perímetro escrotal aos 450 e 550 dias de idade (PE450 e PE550) de animais da raça Nelore e verificar as associações entre estas características. Os parâmetros genéticos foram estimados em análises uni e bicaracter, em um modelo animal, por meio da inferência Bayesiana. O modelo utilizado, para todas as características, incluiu o efeito aleatório genético e a idade como covariável assumindo efeito quadrático. Incluiu também sexo, mês, ano de nascimento e manejo de criação como efeitos ambientais identificáveis para as características de carcaça. Para IPP, PIEP, PE450 e PE550, foram considerados apenas mês e ano de nascimento. As estimativas de herdabilidade de todas as características estudadas foram maiores nas análises bicaracter exceto para IPP e PIEP, que apresentaram 0,75 e 0,29, respectivamente, valores semelhantes nas análises unicaracter. As análises bicaracter resultaram em estimativas de herdabilidade a posteriori para as características PESO, AOL, EG, EGP8, PE450 e PE550 de 0,49, 0,66, 0,74, 0,68, 0,66 e 0,74 respectivamente, sugerindo a possibilidade de ganhos genéticos em ... Mostrar Tudo |
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Palavras-Chave: |
Precocidade sexual; Teoria Bayesiana. |
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Thesagro: |
Carcaça; Gado nelore; Gado zebu; Parâmetro genético; Reprodução animal; Ultrassom. |
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Thesaurus NAL: |
Bayesian theory; Carcass characteristics; Genetic traits; Nellore; Reproductive traits; Ultrasonics; Zebu. |
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Categoria do assunto: |
L Ciência Animal e Produtos de Origem Animal |
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URL: |
https://ainfo.cnptia.embrapa.br/digital/bitstream/item/139634/1/18775-107514-1-PB.pdf
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Marc: |
LEADER 04971naa a2200409 a 4500
001 2037907
005 2016-02-22
008 2015 bl uuuu u00u1 u #d
024 7 $a10.5433/1679-0359.2015v36n6Supl2p4423$2DOI
100 1 $aPAULA, E. J. H. de
245 $aAssociations between reproductive and carcass traits in Nellore.
260 $c2015
520 $aObjetivou-se com este trabalho estimar os parâmetros genéticos e os componentes de (co)variância para as características de carcaça: peso (PESO), área de olho de lombo (AOL), espessura de gordura subcutânea na garupa (EGP8) e entre a 12a e 13a costelas obtidas por ultrassom (EG); para as características ligadas à reprodução: idade ao primeiro parto (IPP), primeiro intervalo entre partos (PIEP), perímetro escrotal aos 450 e 550 dias de idade (PE450 e PE550) de animais da raça Nelore e verificar as associações entre estas características. Os parâmetros genéticos foram estimados em análises uni e bicaracter, em um modelo animal, por meio da inferência Bayesiana. O modelo utilizado, para todas as características, incluiu o efeito aleatório genético e a idade como covariável assumindo efeito quadrático. Incluiu também sexo, mês, ano de nascimento e manejo de criação como efeitos ambientais identificáveis para as características de carcaça. Para IPP, PIEP, PE450 e PE550, foram considerados apenas mês e ano de nascimento. As estimativas de herdabilidade de todas as características estudadas foram maiores nas análises bicaracter exceto para IPP e PIEP, que apresentaram 0,75 e 0,29, respectivamente, valores semelhantes nas análises unicaracter. As análises bicaracter resultaram em estimativas de herdabilidade a posteriori para as características PESO, AOL, EG, EGP8, PE450 e PE550 de 0,49, 0,66, 0,74, 0,68, 0,66 e 0,74 respectivamente, sugerindo a possibilidade de ganhos genéticos em curto prazo de tempo. As correlações genéticas entre IPP e as características de carcaça medidas por ultrassom foram próximas de zero. Comportamento semelhante foi encontrado para IPP, PE450 e PE550 dias indicando que a seleção para essas características não promoverá mudanças na IPP. Correlações genéticas altas (0,92, 0,93 e 0,94) foram encontradas entre as características AOL e PESO, EG e EGP8 e PE450 e PE550, respectivamente. ABSTRACT: The objective of this study was to estimate the genetic parameters and (co)variance of Nellore animals and to characterize the associations between these characteristics for the following carcass traits: weight (W), longissimus muscle area (LMA), rump fat thickness (RF) and fat thickness between the 12th and 13th ribs obtained by ultrasound (BF); also, the following reproductive traits: age at first calving (AFC), first calving interval (FCI), scrotal circumference at 450 and 550 days of age (SC450 and SC550). The genetic parameters were estimated by a single-trait and two traits animal model using Bayesian inference. The model used for all of the features included the genetic random effect and age as covariate assuming a quadratic effect. Additionally, sex, month and year of birth and management of creation and environmental effects identified were included for the carcass traits. For AFC, FCI and SC450 and SC550, we considered only the month and year of birth. The heritability estimates for all of the traits were higher in the two traits analysis, except for AFC and FCI, which showed 0.75 and 0.29, respectively, similar values in the single trait analysis. The two traits analyses resulted in heritability estimates for a posteriori for the features W, LMA, BF, RF, SC450 and SC550 of 0.49, 0.66, 0.74, 0.68 0.66 and 0.74, respectively, suggesting the possibility of genetic gains during a short period of time. The genetic correlations between AFC and carcass traits measured by ultrasound were close to zero. A similar trend was found for AFC, SC450 and SC550 days, indicating that the selection for these traits does not promote changes in AFC. High genetic correlations (0.92, 0.93 and 0.94) were observed between the characteristics LMA and W, BF and RF, and SC450 and SC550, respectively.
650 $aBayesian theory
650 $aCarcass characteristics
650 $aGenetic traits
650 $aNellore
650 $aReproductive traits
650 $aUltrasonics
650 $aZebu
650 $aCarcaça
650 $aGado nelore
650 $aGado zebu
650 $aParâmetro genético
650 $aReprodução animal
650 $aUltrassom
653 $aPrecocidade sexual
653 $aTeoria Bayesiana
700 1 $aMARTINS, E. N.
700 1 $aOLIVEIRA, C. A. L. de
700 1 $aMAGNABOSCO, C. de U.
700 1 $aSAINZ, R. D.
700 1 $aGERON, L. J. V.
700 1 $aSOUZA NETO, E. L. de
700 1 $aPORTO, E. de P.
700 1 $aMIGUEL, G. Z.
773 $tSemina: Ciências Agrárias, Londrina$gv. 36, n. 6, suplemento 2, p. 4423-4434, 2015
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