Inhibitor Rational Design
Mostrando 1-12 de 24 artigos, teses e dissertações.
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1. ESTUDOS ESTRUTURAIS DE PROTEÍNAS: INIBIDOR DE ALFA-AMILASE DE Secale cereale, GTPase YchF E ENOLASE DE Trypanosoma cruzi
As proteínas são as biomoléculas mais abundantes nos seres vivos, estando presentes em todas as partes de uma célula. Elas possuem diferentes funções no organismo; seu estudo estrutural é importante, pois traz maior conhecimento sobre suas funções e possibilita entender como interagem entre elas e com outras moléculas. A estrutura de proteínas pod
IBICT - Instituto Brasileiro de Informação em Ciência e Tecnologia. Publicado em: 13/03/2012
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2. DETERMINAÇÃO E ESTUDOS DE ESTRUTURAS DE COMPLEXOS ENZIMALIGANTES RELEVANTES À BIOLOGIA DAS PTERIDINAS EM PARASITAS: BASE PARA O DESENVOLVIMENTO RACIONAL DE DROGAS TERAPÊUTICAS CONTRA DOENÇA DO SONO
As enzimas dihidrofolato redutase-timidilato sintase (DHFR-TS) e pteridina redutase (PTR) estão envolvidas no metabolismo pterina/folato dependente; juntas, representam um importante alvo para a quimioterapia de leishmanias e tripanossomas parasitas. A Cristalografia por Raios X foi utilizada para elucidar acuradamente a estrutura da enzima PTR1 de Trypanos
Publicado em: 2007
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3. Thermodynamic evaluation and modeling of proton and water exchange associated with benzamidine and berenil binding to ß-trypsin
Serine-proteases are involved in vital processes in virtually all species. They are important targets for researchers studying the relationships between protein structure and activity, for the rational design of new pharmaceuticals. Trypsin was used as a model to assess a possible differential contribution of hydration water to the binding of two synthetic i
Brazilian Journal of Medical and Biological Research. Publicado em: 2005-11
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4. Planejamento racional de drogas contra tripanosomatídeos: gGAPDH de Trypanosoma cruzi e XPRT de Leishmania major / Rational design of anti-trypanosomatids drugs: T. cruzi gGAPDH and Leishmania major XPRT
Aiming at discover molecules with good inhibitory activity against tripanosomatides enzymatic targets, the crystallographic structures of glyceraldehydes-3-phosphate dehydrogenase in complex with 1,3 bisfosfoglyceric acid analogues (30 and 33)were solved, molecular modeling studies were undertaken and xprt (xanthine phosphorybosil transferase) gene from Leis
Publicado em: 2004
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5. Structures of nitric oxide synthase isoforms complexed with the inhibitor AR-R17477 suggest a rational basis for specificity and inhibitor design
The high level of amino acid conservation and structural similarity of the substrate-binding sites of the oxygenase domains of the nitric oxide synthase (NOS) isoforms (eNOSoxy, iNOSoxy, nNOSoxy) make the interpretation of the structural basis of inhibitor isoform specificity a challenge, and provide few clues for the design of new selective compounds. Cryst
National Academy of Sciences.
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6. The affinity-selection of a minibody polypeptide inhibitor of human interleukin-6.
A major challenge in basic and applied biological research is the engineering of small proteins with pre-determined structures and novel functions. In a limited number of cases, this has been achieved by de novo design. An alternative combinatorial approach is based on the construction of large libraries of random peptides and on methods for the selection of
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7. Refined 1.8 A structure of human aldose reductase complexed with the potent inhibitor zopolrestat.
As the action of aldose reductase (EC 1.1.1.21) is believed to be linked to the pathogenesis of diabetic complications affecting the nervous, renal, and visual systems, the development of therapeutic agents has attracted intense effort. We report the refined 1.8 A x-ray structure of the human holoenzyme complexed with zopolrestat, one of the most potent nonc
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8. Microtubule inhibitors: structure-activity analyses suggest rational models to identify potentially active compounds.
Trifluralin, a dinitroaniline microtubule inhibitor currently in use as an herbicide, has been shown to inhibit the proliferation of Plasmodium falciparum, Trypanosoma brucei, and several species of Leishmania, in vitro. As a topical formulation, trifluralin is also effective in vivo (in BALB/c mice) against Leishmania major and Leishmania mexicana. Although
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9. The crystal structures of severe acute respiratory syndrome virus main protease and its complex with an inhibitor
A newly identified severe acute respiratory syndrome coronavirus (SARS-CoV), is the etiological agent responsible for the outbreak of SARS. The SARS-CoV main protease, which is a 33.8-kDa protease (also called the 3C-like protease), plays a pivotal role in mediating viral replication and transcription functions through extensive proteolytic processing of two
National Academy of Sciences.
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10. Inhibition of human immunodeficiency virus 1 protease in vitro: rational design of substrate analogue inhibitors.
Inhibitors of the protease from human immunodeficiency virus 1 (HIV-1) were designed, synthesized, and kinetically characterized. Analogues of a heptapeptide substrate of HIV-1 protease with sequence similar to the p17-p24 cleavage site in the natural substrate, Pr55gag, were synthesized in which the scissile dipeptide bond was replaced with bonds from six c
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11. Characterisation of the substrate specificity of homogeneous vaccinia virus uracil-DNA glycosylase
The decision to stop smallpox vaccination and the loss of specific immunity in a large proportion of the population could jeopardise world health due to the possibility of a natural or provoked re-emergence of smallpox. Therefore, it is mandatory to improve the current capability to prevent or treat such infections. The DNA repair protein uracil-DNA glycosyl
Oxford University Press.
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12. Inducible protein knockout reveals temporal requirement of CaMKII reactivation for memory consolidation in the brain
By integrating convergent protein engineering and rational inhibitor design, we have developed an in vivo conditional protein knockout and/or manipulation technology. This method is based on the creation of a specific interaction interface between a modified protein domain and sensitized inhibitors. By introducing this system into genetically modified mice,
The National Academy of Sciences.