Two of the possible catalytic mechanisms for neurotransmitter oxidative deamination by monoamine oxidase B (MAO B), namely, polar nucleophilic and hydride transfer, were addressed in order to comprehend nature their rate-determining step. The Quantum Chemical Cluster Approach was used obtain transition states MAO complexed with phenylethylamine (PEA), benzylamine (BA), p-nitrobenzylamine (NBA). choice these amines relies on importance address so as help us answer questions such why BA is a...

Wolbachia are alpha-proteobacteria known to infect arthropods, which of interest for disease control since they have been associated with improved resistance viral infection. Although several genomes different strains sequenced, there is little knowledge regarding the relationship between this bacterium and their hosts, particularly on dependency survival. Motivated by potential applications control, we developed genome-scale models four arthropods: wAlbB (Aedes albopictus), wVitA (Nasonia...

Iron is essential for the maintenance of basic cellular processes. In regulation its levels, ferritin acts as main intracellular iron storage protein. this work we present a mathematical model dynamics in during process intestinal absorption. A set differential equations were established considering kinetic expressions reactions and mass balances ferritin, discrete population species defined by their respective content.Simulation results showing evolution content following pulse compared...

A number of natural and synthetic flavonoids have been assessed previously with regard to their effects on the activity cyclin-dependent kinases (Cdk1 -2) related inhibition cell cycle progression. On other hand, Cdk5/p35 system is major importance in neuronal migration phenomena brain development, its deregulation implicated neurodegenerative diseases, particularly Alzheimer's. Here we show that some inhibit micromolar range, while others are practically inactive. Ring B-unsubstituted...

Recent evidence shows that iron induces the endocytosis of transporter dimetal 1 (DMT1) during intestinal absorption. We, and others, have proposed iron-induced DMT1 internalization underlies mucosal block phenomena, a regulatory response downregulates uptake after large oral dose iron. In this work, we investigated participation reactive oxygen species (ROS) in establishment response. By means selective surface protein biotinylation polarized Caco-2 cells, determined kinetics from apical...

To allow the survival of population in absence nitrogen, some cyanobacteria strains have developed capability differentiating into nitrogen fixing cells, forming a characteristic pattern. In this paper, process by which differentiates from vegetative cells heterocysts and elements gene network involved that formation such pattern are investigated. A simple model, represents complexity differentiation process, role all variables cellular is proposed. Specific characteristics details system's...

Iron absorption is a complex and highly controlled process where DMT1 transports nonheme iron through the brush-border membrane of enterocytes to cytoplasm but does not transport alkaline-earth metals such as calcium. However, it has been proposed that high concentrations calcium in diet could reduce bioavailability. In this work, we investigate effect intracellular extracellular on uptake by Caco-2 cells, determined calcein fluorescence quenching. We found inhibits cells...

Abstract The most used mathematical models with a phenomenological basis for simulating chromatographic curves of proteins in size exclusion chromatography, ion exchange affinity and hydrophobic interaction chromatography are reviewed. plate model (PM) the general rate (GRM) briefly described, followed by various applications these to different strategies. Based on examples it is concluded that GRM complete informative model, despite needs several parameters have be estimated from...

Although substrate conversion mediated by human monoaminooxidase (hMAO) has been associated with the deprotonated state of their amine moiety, data regarding influence protonation on binding at active site are scarce. Thus, in order to assess influence, steered molecular dynamics (SMD) runs were carried out. These simulations revealed that protonated form serotonin (5-HT) exhibited stronger interactions protein surface compared neutral form. The latter displayed cavity. observations support...

Iron is a trace metal, key for the development of living organisms. Its absorption process complex and highly regulated at transcriptional, translational systemic levels. Recently, internalization DMT1 transporter has been proposed as an additional regulatory mechanism intestinal level, associated to mucosal block phenomenon. The short-term effect iron exposure in apical uptake initial rates was studied Caco-2 cells different concentrations, using both experimental approach mathematical...

Iron is essential for the normal development of cellular processes. This metal has a high redox potential that can damage cells and its overload or deficiency related to several diseases, therefore it crucial absorption be highly regulated. A fast-response regulatory mechanism been reported known as mucosal block, which allows regulate iron after an initial challenge. In this mechanism, internalization DMT1 transporters in enterocytes would key factor. Two phenomenological models are...

A hybrid Expert System has been implemented for selecting the optimum sequence of operations purification proteins. Two criteria were to select purification. One these uses selection separation coefficient (SSC criterion) and other final level purity (Purity criterion). The sequences suggested by have tested experimentally in two cases: with a model protein mixture β-1,3-glucanase from recombinant Bacillus subtilis culture. In both cases gave very good agreement predicted With it was shown...

Wolbachia are endosymbiont bacteria known to infect arthropods causing different effects, such as cytoplasmic incompatibility and pathogen blocking in Aedes aegypti. Although several strains have been studied, there is little knowledge regarding the relationship between this bacterium their hosts, particularly on obligate nature its ability. Motivated by potential applications disease control, we developed a genome-scale model of two strains: wMel strongest Dengue strain date: wMelPop. The...