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Computational Analysis of Physicochemical, Pharmacokinetic and Toxicological Properties of Deoxyhypusine synthase Inhibitors with Antimalarial Activity

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Computational Molecular Bioscience 2014年第4期4卷 47-57页

作者： Nayara s.R.silva Luana K.s.Goncalves Jonatas L.Duarte Juliane s.silva César F.santos francinaldo s.braga Raí C.silva Josivan s.Costa Lorane I.s.Hage-Melim Cleydson B.Rdos santos Laboratory of Modeling and Computational Chemistry Federal University of AmapáCampus Universitário Marco ZeroMacapáBrazil Postgraduate Program in Pharmaceutical sciences Federal University of AmapáMacapáBrazil

Malaria is a parasitic disease which has as etiological agents protozoa of the genus Plasmodium prevalent in tropical countries. The appearance of Plasmodium strains resistant to artemisinin has become necessary the development of new drugs using computational tools to combat this epidemic. Diverse transporter proteins can act as antimalarials targets, thereby being the enzyme deoxyhypusine synthase a promising antimalarial target. The present study aimed to investigate 15 most active inhibitors of deoxyhypusine synthase target, deposited in databases Binding DB, in order to trace a pattern of physicochemical, pharmacokinetic and toxicological properties of the inhibitors for this enzyme and propose new inhibitors of deoxyhypusine synthase target. The physicochemical properties were obtained according to the Lipinski parameters to evaluate oral absorption. Based on the certain properties were proposed three new inhibitors (A, B and C). The ADME/Tox properties were calculated for new inhibitors compared with results of the selected compounds. The fifteen inhibitors for oral administration showed satisfactory results, because they have adapted to the Lipinski parameters. In relation to the penetration of the blood-brain barrier the inhibitors analyzed showed penetration values less than 1, and ranged from 0.0411815 to 0.481764, being that the compound 1 showed value of CBrain/CBlood = 0.135467. Compound B showed a higher strength in plasma protein binding in relation to the compound 1, having a variation be-tween them of ±1.489344. Therefore, the compound B would present a longer halflife compared with compound 1. The proposed compounds showed positive and satisfactory results, being able to reach less adverse effects related to the central nervous system depending of administered dose.

关键词： Antimalarial Activity Deoxyhypusine synthase Inhibitors Physicochemical Property Pharmacokinetic and Toxicological Properties

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sleeve Gastrectomy with Duodenal Transit Bipartition (s-DTB): Preliminary Results and Technical Aspects of Its Metabolic structure

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surgical science 2024年第4期15卷 244-264页

作者： Paulo Reis Esselin de Melo Ricardo Zorron Victor Ramos Mussa Dib Carlos Augusto scussel Madalosso Rui Ribeiro Thonya Cruz braga Paula Volpe Carlos Eduardo Domene Paulo Reis Institute Goiania GO Brazil Alfredo Nasser University Center (UNIFAN) Goiania GO Brazil Department of Bariatric and Metabolic surgery CUF Descobertas Hospital Lisbon Portugal Victor Dib Institute Manaus AM Brazil Gastrobese Clinic Passo Fundo RS Brazil Lusiadas Amadora Hospital Lisbon Portugal Clianest Group Renaissance Hospital Goiania GO Brazil Integrated Center for Advanced Medicine (CIMAMED) Sao Paulo Brazil

Obesity is a significant and escalating health issue both in Brazil and globally, with over 650 million overweight adults worldwide. The treatment of obesity can be performed clinically, endoscopically or surgically;surgical treatment proves to be safe and more effective in terms of weight loss and long-term maintenance. Objective: This study aimed to monitor the progress of weight loss and comorbidity control in patients undergoing sleeve gastrectomy with duodenal bipartition. Methods: This pilot project involved 8 patients divided into 2 arms. In the first arm, patients underwent sleeve gastrectomy with Roux-en-Y duodenoileal transit bipartition (s-RYDITB), while in the second arm, patients underwent sleeve gastrectomy with Roux-en-Y duodenojejunal transit bipartition (s-RYDJTB). Both procedures involved Roux-en-Y reconstruction without duodenal exclusion. In s-RYDITB, the duodenal-ileal anastomosis was performed 300 cm from the ileocecal valve (ICV), creating a 250 cm common channel and a 50 cm alimentary channel. In s-RYDJTB, a biliopancreatic loop was created 200 cm from the angle of Treitz, with a 1 m alimentary channel. Results: Five patients underwent the procedures, with one undergoing s-RYDITB and four undergoing s-RYDJTB. No adverse events such as hospitalizations, readmissions, reoperations, fistulas, bleeding, pulmonary embolism, diarrhea, dumping syndrome, or hypoglycemia occurred during the study period. The mean length of hospital stay was 2 days. The average BMI decreased from 37.27 kg/msup>2sup> preoperatively to 29.48 kg/msup>2sup> after 6 months. The significant percentage of weight loss was 21.22%, with excess weight loss of 63.6%. Ninety-five percent remission of comorbidities, including hypercholesterolemia, hypertriglyceridemia, diabetes, hypertension, steatosis, and pre-diabetes. Two patients underwent sleeve gastrectomy with duodenal bipartition using a single anastomosis. Conclusion: Duodenal switch surgery has gained worldwide recog

关键词： Obesity Bariatric surgery Metabolic surgery Duodenal switch

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Microbial Community with Potential for Metal Release Isolated from Palca Mine Tailings Pond in Peru

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Journal of Geoscience and Environment Protection 2024年第7期12卷 109-121页

作者： César Wilber Guzmán Moreno Bruno Karolski solange Kazue Utimura Roberto Castellanos Cabrera Jhon Albert Centeno Torres Daladier Miguel Castillo Cotrina Elisabete de santis.braga Dayana sarai Gamonal Fermandez Denise Crocce Romano Espinosa Joel Barbujiani sigolo Department of sedimentary and Environmental Geology Institute of Geoscience USP So Paulo Brazil Department of Chemical Engineering LAREX USP So Paulo Brazil CEPEMA Environment Training and Research Center USP So Paulo Brazil Facultad de Ciencias Universidad Nacional Jorge Basadre Grohmann UNJBG Tacna Per Department of Physical Chemical and Geological Oceanography USP So Paulo Brazil Facultad de Ciencias Biolgicas Universidad Nacional Pedro Ruiz Gallo UNPRG Lambayeque Per

The improvement of microbial characterization has increased the comprehension of microbial population and their ability in the microbiological metal dissolution. Bioleaching processes have been expanded to use microorganisms for the recovery of metals from ores and wastes. This study introduces Palca mine tailings pond in Peru which turned into acid mine drainage (AMD). AMD is a source of microbial communities whose microorganisms may support the aqueous extractive metallurgy for metal recovery. Four samples of AMD were collected from different locations and the elemental characterization showed concentrations of metals, such as Cu, Zn, Al, Mn, and Fe. The pH of the samples showed variation between 1.9 - 6.8. Twenty-one microorganisms were isolated and selected according the cell morphology. 16s rRNA gene sequences identified five species of which three belong to the bacterial kingdom and two to the Fungi kingdom. Two of the bacterial species were ferrous ion oxidizing bacteria, identified as Acidithiobacillus ferriphilus and Acidithiobacillus ferridurans;and the other one a ferric ion reducing bacteria identified as Acidiphilium acidophilum. The fungi species identified were Rhodotorula sinensis and Exophiala xenobiotica, a filamentous fungus isolated for the first time from an AMD.

关键词： Acidophilic Microorganisms Acid Mine Drainage—AMD Bioleaching Process Metals Recovery Acidithiobacillus

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Performance Parameters:Demobilization Antibiotic Resistant Bacteria(ARB)and Carrying Genes(ARG)in Wastewater Disinfection

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Journal of Environmental science and Engineering(B) 2024年第1期13卷 1-8页

作者： solange Kazue Utimura Denise Crocce Romano Espinosa Marcio Luís Busi da silva Elisabete de santis.braga Pedro Jose Alvarez Department of Chemical Engineering USPR.do LagoSão Paulo 25005508-080Brazil Department of Physical Chemical and Geological OceanographyUSPPraça do Oceanográfico 191SPBrazil Department of Civil and Environmental Engineering Rice University6100 Main St.HoustonTexas 77005USA

The UV irradiation is used for removing Antibiotic Resistant Bacteria(ARB)and Antibiotic Resistance Genes(ARG)from wastewater *** are viruses that infect within bacteria,are recognized for bacterial *** influence of some parameters in quantification and performance influencing of pathogen demobilization could be considered in disinfection of *** comparison of Polyvalent phage(NE1)versus Coliphage(NE4)in suppressing a bacterium Escherichia coli(NDM-1:b-lactam-resistant)with UV irradiation was observed the efficacy in reduction of cells in the disinfection and parameter *** results with the effect of UV-C irradiation on NDM-1 infected with 1%of NE4 showed a decrease of cells from 8×10^(6)to 2×10^(5)in 60 min with UV-C *** NDM1(***)was infected with 1%of NE4(Polyvalent Phage)under magnetic stirring for 1 h,the cells count was 8×10^(6).After 1 h in UV-C e×posure,the cells number reached 3×10^(5).The NDM1 that was e×posed in 1 h of UV-C irradiation and then was infected with 1%of *** counting were done 24 h after this *** cells were e×posed in UV-C and showed a reduction in the number of cells from 1×10^(8)to 4×10^(5)after 60 *** results indicate that bacteriophages can mitigate bacteria species,and combined the conventional water disinfection technologies that can support the microbial safety control strategies.

关键词： Antibiotic Resistant Bacteria(ARB) Antibiotic Resistance Genes(ARG) wastewater treatment disinfection Escherichia coli(E.coli).

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Extended criteria brain-dead organ donors:Prevalence and impact on the utilisation of livers for transplantation in Brazil

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World Journal of Hepatology 2023年第2期15卷 255-264页

作者： Victoria s.braga Amanda P C s Boteon Heloisa B Paglione Rafael A A Pecora Yuri L Boteon Faculdade Israelita de Ciências da saúde Albert Einstein Hospital Israelita Albert EinsteinSão Paulo 05652-900Brazil Transplant Centre Hospital Israelita Albert EinsteinSão Paulo 05652-900Brazil

BACKGROUND Despite its association with higher postoperative morbidity and mortality,the use of extended criteria donor(ECD)livers for transplantation has increased globally due to the high demand for the *** To investigate the prevalence of ECD in donation after brain death(DBD)and its impact on organ acceptance for *** Retrospective analysis of DBD organ offers for liver transplantation between 2017 and 2020 in a high-volume transplant *** incidence of the Eurotransplant risk factors to define an ECD(ET-ECD)among DBD donors and the likelihood of organ acceptance over the years were *** relationship between organ refusal for transplantation,the occurrence,and the number of ET-ECD was assessed by simple and multiple logistic regression *** A total of 1619 organ donors were *** these,78.31%(n=1268)had at least one ET-ECD *** was an increase in the acceptance of ECD DBD organs for transplantation(1 criterion:from 23.40%to 31.60%;2 criteria:from 13.10%to 27.70%;3 criteria:From 6.30%to 13.60%).For each addition of one ETECD variable,the estimated chance of organ refusal was 64.4%higher(OR 1.644,95%CI 1.469-1.839,Pserum sodium>165 mmol/L(P=0.310),all ET-ECD criteria increased the estimated chance of organ refusal for *** A high prevalence of ECD DBD was *** the increase in their utilisation,the presence and the number of extended donor criteria were associated with an increased likelihood of their refusal for transplantation.

关键词： Liver transplantation Extended criteria donors Donation after brain death Organ donation

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Combinatorial therapies for spinal cord injury repair

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Neural Regeneration Research 2025年第5期20卷 1293-1308页

作者： Carla s.sousa Andreia Monteiro António J.salgado Nuno A.silva Life and Health sciences Research Institute(ICVs) School of MedicineUniversity of MinhoCampus de Gualtar-gualtarBragaPortugal ICVs/3B’s Associate Lab PT Government Associated LabCampus de Gualtar-gualtarBragaPortugal

spinal cord injuries have profound detrimental effects on individuals, regardless of whether they are caused by trauma or non-traumatic events. The compromised regeneration of the spinal cord is primarily attributed to damaged neurons, inhibitory molecules, dysfunctional immune response, and glial scarring. Unfortunately, currently, there are no effective treatments available that can fully repair the spinal cord and improve functional outcomes. Nevertheless, numerous pre-clinical approaches have been studied for spinal cord injury recovery, including using biomaterials, cells, drugs, or technological-based strategies. Combinatorial treatments, which target various aspects of spinal cord injury pathophysiology, have been extensively tested in the last decade. These approaches aim to synergistically enhance repair processes by addressing various obstacles faced during spinal cord regeneration. Thus, this review intends to provide scientists and clinicians with an overview of pre-clinical combinatorial approaches that have been developed toward the solution of spinal cord regeneration as well as update the current knowledge about spinal cord injury pathophysiology with an emphasis on the current clinical management.

关键词： electric stimulation neural tissue regeneration neuroprotection polytherapy spinal cord injury

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Branching patterns of the left portal vein and consequent implications in liver surgery:The left anterior sector

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Hepatobiliary & Pancreatic Diseases International 2022年第4期21卷 399-402页

作者： Mattia Garancini Mauro Alessandro scotti Luca Gianotti Antonio Rovere Fabio Uggeri Marco braga Fabrizio Romano Unit of Hepatobiliary Pancreatic surgery Department of General Surgery 1ASST-MonzaSan Gerardo HospitalMilano-Bicocca Universityvia Pergolesi 3320900 MonzaMBItaly Unit of Interventional Radiology Department of RadiologyASST-MonzaSan Gerardo HospitalMilano-Bicocca Universityvia Pergolesi 3320900 MonzaMBItaly

To the Editor: There are still some open issues about the systematization of the knowledge of the branching of the left portal vein(LPV) and the division in anatomo-functional units within the left liver. The first controversial topic concerns the division of s4 in subsegments. The Brisbane 20 0 0 system of Nomenclature of Hepatic Anatomy and Resections(B20 0 0) [1] does not mention such subdivision, but in literature this is still a matter of discussion.

关键词： branching portal discussion

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The Contribution of Nutrients and Water Properties to the Carbonate system in Three Particular Areas of the Tropical Atlantic (NE-BRAZIL)

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Journal of Geoscience and Environment Protection 2022年第2期10卷 135-161页

作者： Leonardo Bertini Elisabete de santis.braga Oceanographic Institute University of S&#227 o Paulo S&#227 o Paulo Brazil

Tropical waters show different regional aspects due to specificities in their nutrient biogeochemical cycles, which can affect the carbon system and influence their regional role as sinks or sources of COsub>2sub>. This study was performed on particular tropical areas that present a different seasonal behaviour related to the carbon cycle observed in the late rainy season (July 2013). Understanding the COsub>2sub> drawdown and outgassing potential in these areas is needed to call attention to more long-term monitoring efforts and protect understudied tropical coastal systems more efficiently. This study is focused on nutrient values, hydrological data, biogeochemical carbon behaviour linked to the carbonate system and includes estimates of COsub>2sub> fluxes in three contrasting areas off the northeastern Brazilian shelf: 1) an urbanised estuary (Recife-REC), 2) a coastal Island (Itamaracá-ITA) and 3) an oceanic archipelago (Fernando de Noronha-FN). In general, REC acted as a source, while ITA and FN as carbon sinks. In ITA, despite the high DIC and Total Alkalinity observed (mean ~2360 μmol·kgsup>-1sup>), the sink is associated with an effective cascading of atmospheric COsub>2sub> associated with turbulent shallow waters coupled with biogenic removal of and precipitation of CaCOsub>3sub> by coralline algae. FN acted as a sink, linked to minor decreases in Total Alkalinity (mean~2295 μmol·kgsup>-1sup>) influenced by ammonium-based primary production, nitrogen fixation and sporadic entrainment of nutrient rich waters in the upper thermocline. More studies in different western tropical Atlantic coastal systems can improve the knowledge of tropical shelf seas and their contribution to the ocean carbon budget under specific regional trophic regimes.

关键词： N/P/si Ratios Total Alkalinity CO2 Flux Dissolved Inorganic Carbon Trophic Conditions Western Tropical Atlantic

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A facile strategy for tuning the density of surface-grafted biomolecules for melt extrusion-based additive manufacturing applications

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Bio-Design and Manufacturing 2024年第3期7卷 277-291页

作者： I.A.O.Beeren G.Dos santos P.J.Dijkstra C.Mota J.Bauer H.Ferreira Rui L.Reis N.Neves s.Camarero-Espinosa M.B.Baker L.Moroni Department of Complex Tissue Regeneration MERLN Institute for Technology-Inspired Regenerative MedicineMaastricht University6229 ER MaastrichtThe Netherlands 3B’s Research Group I3Bs–Research Institute on BiomaterialsBiodegradables and BiomimeticsHeadquarters of the European Institute of Excellence on Tissue Engineering and Regenerative MedicineUniversity of MinhoAveParkZona Industrial da Gandra4805-017 BarcoGuimarãesPortugal ICVs/3B’s-PT Government Associate Laboratory 4806-909 Braga/GuimarãesPortugal POLYMAT University of the Basque Country UPV/EHU20018 Donostia/San SebastiánSpain IKERBAsQUE Basque Foundation for Science48009 BilbaoSpain

Melt extrusion-based additive manufacturing(ME-AM)is a promising technique to fabricate porous scaffolds for tissue engi-neering ***,most synthetic semicrystalline polymers do not possess the intrinsic biological activity required to control cell *** of biomolecules on polymeric surfaces of AM scaffolds enhances the bioactivity of a construct;however,there are limited strategies available to control the surface ***,we report a strategy to tune the surface density of bioactive groups by blending a low molecular weight poly(ε-caprolactone)5k(PCL5k)containing orthogonally reactive azide groups with an unfunctionalized high molecular weight PCL75k at different *** porous three-dimensional(3D)scaf-folds were then fabricated using a high weight percentage(75 wt.%)of the low molecular weight PCL *** a proof-of-concept test,we prepared films of three different mass ratios of low and high molecular weight polymers with a thermopress and reacted with an alkynated fluorescent model compound on the surface,yielding a density of 201-561 pmol/cm^(2).subsequently,a bone morphogenetic protein 2(BMP-2)-derived peptide was grafted onto the films comprising different blend compositions,and the effect of peptide surface density on the osteogenic differentiation of human mesenchymal stromal cells(hMsCs)was *** two weeks of culturing in a basic medium,cells expressed higher levels of BMP receptor II(BMPRII)on films with the conjugated *** addition,we found that alkaline phosphatase activity was only significantly enhanced on films contain-ing the highest peptide density(i.e.,561 pmol/cm^(2)),indicating the importance of the surface *** together,these results emphasize that the density of surface peptides on cell differentiation must be considered at the cell-material ***,we have presented a viable strategy for ME-AM community that desires to tune the bulk and surface functionality via blending of(m

关键词： Additive manufacturing Blending surface functionalization surface density Click chemistry Human

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FeedEfficiencyservice: An architecture for the comparison of data from multiple studies related to dairy cattle feed efficiency indices

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Information Processing in Agriculture 2022年第3期9卷 378-396页

作者： Heitor Magaldi Linhares Regina braga Wagner Antonio Arbex Mariana Magalhaes Campos Fernanda Campos Jose Maria N.David Victor stroele Programa de Pos-Graduacao em Ciencia da Computacao Universidade Federal de Juiz de ForaCampus UniversitarioRua JoseLourenco Kelmers/n-Sao PedroJuiz de ForaMinas Gerais 36036-900Brasil Brazilian Agricultural Research Corporation-Embrapa Av.Eugenio do Nascimento610-AeroportoJuiz de Fora-MGMinas Gerais 36038-330Brasil

The increased demand for food worldwide,the reduced land availability for livestock pro-duction,the increasing cost of animal feed and the need for mitigating livestock-related greenhouse gas emissions have driven the search for animal feeding systems that proves more *** tackle this problem,we propose the use of computational support to help researchers compare data on feed efficiency,therefore improving economic and environ-mental *** a solution,we present an integrative architecture capable of combining heterogeneous data from multiple experiments related to dairy cattle feed efficiency *** proposed architecture,called FeedEfficiencyservice,classifies animals according to feed efficiency indices and allows visualizations through ontologies and inference *** results obtained from a case study with researchers from the Brazilian Agri-cultural Research Corporation–Dairy Cattle(EMBRAPA)demonstrate that this architecture is a supporting tool in their daily work *** researchers highlighted the importance of the proposed architecture as it allows analyzing animal data,comparing experiments,having reliable data analyses,and standardizing and organizing data from *** novelty of our approach is the use of ontologies and inference engines to enable the discovery of new knowledge and new relationships between data from feed efficiency-related *** store such data,relationships,and analyses of results in an inte-grated *** solution ensures unified access to the processing history and data from diverse experiments,including those conducted at external research centers.

关键词： Dairy Cattle

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