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COVID-19 liver and gastroenterology findings:An in silico analysis of SARS-CoV-2 interactions with liver molecules

World Journal of Hepatology 2022年第6期14卷 1131-1141页

作者： Gabrielle Caroline Peiter Cristiano de Bem Torquato de Souza Lucca Miketen de Oliveira Luis Gustavo Pagliarin valentina nunes fontoura dos anjos Filipe Antônio França da Silva Fabrício Freire de Melo Kádima Nayara Teixeira Universidade Federal do Paraná Campus ToledoToledo 85919-899ParanáBrazil Universidade Federal da Bahia Campus Anísio TeixeiraVitória da Conquista 45029-094BahiaBrazil

BACKGROUND Coronavirus disease 19(COVID-19)has not only been shown to affect the respiratory system,but has also demonstrated variable clinical presentations including gastrointestinal tract *** addition,abnormalities in liver enzymes have been reported indicating hepatic *** is known that severe acute respiratory syndrome coronavirus-2(SARS-CoV-2)might infect cells via the viral receptor angiotensin-converting enzyme 2(ACE2)which is expressed in several organs including the *** viral Spike glycoprotein binds to ACE2 and must be cleaved by Furin and Type 2 Serine Protease to enter the *** that,the Akt/mTOR signaling pathway is activated and several COVID-19 changes are *** To analyze liver and gastrointestinal symptoms and cell signaling pathways triggered by SARS-CoV-2 infection due to virus-liver interactions in *** In this in silico study,the three-dimensional structures of the Akt,mTORC1 and Furin(receptors)were selected from the Protein Data Bank(PDB)and the structures of inhibitors(ligands)MK-2206,CC-223 and Naphthofluorescein were selected from PubChem and ZINC *** files were downloaded as 2D structures and converted to optimized 3D structures using ViewerLite 4.2 *** Sketch®software was used to calculate prediction of the protonated form of inhibitors in a physiological environment(pH 7.4).AutoDock Tools(ADT)software was used to calculate and delimit the Grid box used in the molecular docking of each structure selected in the *** addition,protonated ligands were prepared for molecular docking using ADT *** docking was performed using ADT software tools connected to Vina *** of the amino acid residues involved in ligand interactions,as well as ligand twists,the atoms involved in interactions,bond type and strength of interactions were performed using PyMol^(■)and Discovery Studio^(■)(BIOVIA)*** Molecular docking analysis showed that the mTOR

关键词： Bioinformatics Cell signaling pathway COVID-19 Liver injury SARS-CoV-2

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In silico evidence of Remdesivir action in blood coagulation cascade modulation in COVID-19 treatment

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World Journal of Biological Chemistry 2023年第4期14卷 72-83页

作者： Luis Gustavo Pagliarin Lucca Miketen de Oliveira valentina nunes fontoura dos anjos Cristiano de Bem Torquato de Souza Gabrielle Caroline Peiter Cinthia Façanha Wendel Anderson Dillmann Groto Fabrício Freire de Melo Kádima Nayara Teixeira Campus Toledo Universidade Federal do ParanáToledo 85.919-899ParanáBrazil Programa Multicêntrico de Pós-graduação em Bioquímica e Biologia Molecular-Setor Palotina Universidade Federal do ParanáPalotina 85.950-000ParanáBrazil Instituto Multidisciplinar em Saúde-Campus Anísio Teixeira Universidade Federal da BahiaVitória da Conquista 45.029-094BahiaBrazil

BACKGROUND Coronavirus disease 2019(COVID-19)has demonstrated several clinical manifestations which include not only respiratory system issues but also liver,kidney,and other organ *** of these abnormalities is coagulopathies,including thrombosis and disseminated intravascular *** of this,the administration of low molecular weight heparin is required for patients that need to be *** addition,Remdesivir is an antiviral that was used against Middle East Acute Respiratory Syndrome,Ebola,Acute Respiratory Syndrome,and other diseases,showing satisfactory results on ***,there is evidence suggesting that this medication can provide a better prognosis for patients with *** To investigate in silico the interaction between Remdesivir and clotting factors,pursuing a possibility of using it as *** In this in silico study,the 3D structures of angiotensin-converting enzyme 2(ACE2),Factor I(fibrinogen),Factor II(prothrombin),Factor III(thromboplastin),Factor V(proaccelerin),Factor VII(proconvertin),Factor VIII(antihemophilic factor A),Factor IX(antihemophilic factor B),Factor X(Stuart-Prower factor),and Factor XI(precursor of thromboplastin(these structures are technically called receptors)were selected from the Protein Data *** structures of the antivirals Remdesivir and Osetalmivir(these structures are called ligands)were selected from the PubChem database,while the structure of Atazanavir was selected from the ZINC *** software AutoDock Tools(ADT)was used to prepare the receptors for molecular ***,peptides,water molecules,and other ones were removed from each ligand,and then,hydrogen atoms were added to the *** grid box was delimited and calculated using the same software ADT.A physiological environment with pH 7.4 is needed to make the ligands interact with the receptors,and still the software Marvin sketch®(ChemAxon®)was used to forecast the protonation *** perform m

关键词： Clotting factors Coagulating blood cascade COVID-19 treatment Remdesivir SARS-CoV-2

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Rescuing agroforestry as strategy for agriculture in Southern Brazil

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Journal of Forestry Research 2016年第4期27卷 739-746页

作者： Alexandre Siminski Karine Louise dos Santos Juliano Gil nunes Wendt Universidade Federal de Santa Catarina Centro de Curitibanos

Knowledge about agricultural ecosystems, as well as about ecological and social interactions that occur in an agricultural context, is essential to promote a balanced environment for production. Incorporating the forest landscape into farming systems has promoted the development of integrated production systems such as agroforestry. However, many aspects of the relationship between farming and the forest landscape have changed since the modernization of agriculture introduced by the Green Revolution. The objectives of this review are：（1） to contribute to the understanding of the changes in cultivation strategies and in the dynamics of agricultural systems,particularly in the context of farming in Santa Catarina State, Brazil;（2） to contribute to the understanding of agroforestry systems as a strategy to reintroduce the element of forestry into agricultural production systems; and（3） to compile a list of forest plant species that could be used in agroforestry. The approach adopted in this manuscript seeks to highlight the potential of agroforestry systems to conserve natural resources and thereby to support agricultural development by connecting environmental conservation with income for farmers.

关键词： agriculture agricultural farming Brazil landscape cultivation modernization highlight income compile

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Melanoma of the gallbladder misdiagnosed as gallbladder cancer

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Hepatobiliary & Pancreatic Diseases International 2010年第1期9卷 108-109页

作者： Renata Potonyacz Colaneri Bárbara dos Santos nunes Paulo Herman University of So Paulo Medical School Department of Gastroenterology University of So Paulo Medical School

To the Editor:Metastatic melanoma of the gallbladder is extremely rare,and despite appropriate therapy its prognosis is poor withfew patients surviving more than 2 years. We present acase of gallbladder involvement by... 详细信息

关键词： gallbladder extremely prognosis melanoma involvement despite nodule metastatic admitted cholecystitis

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Analysis of alternative parameters of dynamic resistance measurement in high voltage circuit breakers

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High Voltage 2019年第3期4卷 197-202页

作者： Herbet Filipe dos Santos Sousa Adriano Costa de Oliveira George Victor Rocha Xavier Henrique nunes de Santana Edson Guedes da Costa Tarso Vilela Ferreira Federal University of Campina Grande Campina GrandeBrazil Federal University of Sergipe AracajuBrazil

Throughout its lifetime,high-voltage circuit breaker(HVCB)contacts suffer from inevitable degradation processes,especially during the formation of electric *** degraded contacts can reduce the current interruption capacity and increase the chances of operational faults,which might lead to considerable financial ***,the use of efficient evaluating techniques is a key factor to achieve systems *** dynamic resistance measurement(DRM)is a technique that can be used to evaluate the degradation level of HVCB'*** stands out from the usual technique,static resistance measurement,by allowing the assessment of both the main contacts and the arcing contacts(ACs).Usually,the mean resistance or the area under the DRM curve is used to estimate the AC ***,DRM is a non-standardised technique and there are no specified parameters to evaluate the real wear ***,an analysis of alternative parameters extractible from the DRM technique is presented in this study,such as amplitude and variance of the DRM *** results attest the possible use of more than one parameter for the continuous evaluation of HVCB ACs,characterising the DRM as a more complete and precise diagnosis tool.

关键词： resistance parameters dynamic

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Vegetation structure and edaphic factors in veredas reflect different conservation status in these threatened areas

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Forest Ecosystems 2022年第3期9卷 387-395页

作者： Yule Roberta Ferreira nunes Camila Silveira Souza Islaine Francielly Pinheiro de Azevedo Odirlei Simôes de Oliveira Leidivan Almeida Frazão Rúbia Santos Fonseca Rubens Manoel dos Santos Walter Viana Neves Programa de Pós-Graduaçao Em Botânica Aplicada Departamento de Biologia GeralUniversidade Estadual de Montes ClarosAvenida Dr.Ruy BragaS/N-Bairro Vila MauricéiaMontes ClarosMinas Gerais39401-089Brazil Laboratório de Ecologia Vegetal Universidade Estadual de Montes ClarosAvenida Dr.Ruy BragaS/N-Bairro Vila MauricéiaMontes ClarosMinas Gerais39401-089Brazil Instituto de Ciências Agrarias-Universidade Federal de Minas Gerais Avenida Universitária1.000-Bairro Universit�arioMontes ClarosMinas Gerais39404-547Brazil Departamento de Ciências Florestais Universidade Federal de LavrasCP 3037LavrasMinas Gerais37200-000Brazil Instituto Mineiro de Gestao dasÁguas Secretaria de Estado de Meio Ambiente e Desenvolvimento SustentávelAvenida JoséCorreia Machado900-Bairro IbiturunaMontes ClarosMinas Gerais39401-832Brazil

Background:In Cerrado humid areas,veredas are considered as hygrophilous communities,marked by the presence of the Mauritia flexuosa palm tree emerging in the wetter *** in veredas ecosystems due to drought and changes in the water table,which represent important areas for biodiversity maintenance in the Brazilian cerrado,can lead to the emergence of new landscapes and *** that the veredas are changed in species composition due to anthropogenic factors,in this study,we evaluated the flora composition and described the current vegetation profile of two veredas under different disturbances levels that are located in the north of Minas Gerais State,***:Altogether,2,268 individuals of 91 species belonging to 36 families were *** results demonstrated that the studied veredas were floristically different in terms of the arboreous-shrubby species composition,richness,and *** the hygrophilous forest formations and open areas in the two veredas present typical species from these environments(same species with high importance values),the drought in the water table caused an expansion of Cerrado species in the open areas and in the hygrophilous ***,in the hygrophilous forest there was an increase in the abundance of species that occur in less saturated ***:Our results demonstrate that the studied veredas are changing in species composition due to anthropogenic factors which leads to the drought of these formations(water balance effect).These anthropogenic effects cause a modification with the expansion and increase in the abundance of typical species of other areas of Cerrado and resistant to less saturated soils,leading to the veredas ***,future studies should investigate other veredas on a broader scale to detect changes in the water table that lead to a consequent change in vegetation *** this way,we will have support for the conscientious management and conservatio

关键词： Cerrado Conservation Palm swamp Plant distribution Climate change Water balance effect Vereda drought Phytosociological analysis

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Water availability drives gradients of tree diversity,structure and functional traits in the Atlantic-Cerrado-Caatinga transition,Brazil

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Journal of Plant Ecology 2018年第6期11卷 803-814页

作者： Marcela de Castro nunes Santos Terra Rubens Manoel dos Santos Jamir Afonso do Prado Júnior José Marcio de Mello José Roberto Soares Scolforo Marco Aurélio Leite Fontes Ivan Schiavini Aliny Aparecida dos Reis Inacio Thomaz Bueno Luiz Fernando Silva Magnago Hans ter Steege Departamento de Ciências Florestais Universidade Federal de LavrasCampus UniversitárioPO Box 3037LavrasMinas Gerais 37200-000Brazil Instituto de Biologia Universidade Federal de UberlândiaCampus Umuarama-Bloco 2DPO Box 593UberlândiaMinas Gerais 38400-902Brazil Applied Ecology and Conservation Lab Programa de Pós‐graduação Ecologia e Conservação da BiodiversidadeUniversidade Estadual de Santa CruzIlhéusBahia 45662-900Brazil Naturalis Biodiversity Center Vondellaan 55Postbus 95172300 RA LeidenThe Netherlands Coordenação de Botânica Museu Paraense Emílio GoeldiAv.Magalhães Barata 376PO Box 399BelémPara´66040-170Brazil

Aims Climate and soil are among the most important factors determin-ing variation in tree communities,but their effects have not been thoroughly elucidated to date for many vegetation *** this study,we evaluate how climate and soil gradients affect gradients of vegetation composition,species diversity and dominance,structure and functional traits(seed mass and wood density)using over 327000 trees in 158 sites distributed along environmental gradients in the transitions among the Atlantic forest,Cerrado and Caatinga in Minas Gerais State(MG),Brazil(nearly 600000 km2).Methods Gradients in species,genus and family abundance in addition to basal area,stem density,species diversity(Fisher’s alpha),domin-ance percentage,seed mass and wood density were correlated using multiple regressions with environmental variables,as summarized in four principal component analysis axes(two climatic-precipi-tation seasonality and temperature range-and two edaphic-soil fertility and soil moisture).Additionally,ordinary kriging maps were used to better illustrate the *** Findings Multiple regression models indicate that all variables but domin-ance percentage were affected by one or more of the environmental gradients,but the average R2 was low(26.25%).Kriging maps rein-forced the patterns observed in the regression *** seasonality and soil moisture gradients were the most important gra-dients affecting vegetation *** finding suggests that water availability is an important determinant of vegetation features in these vegetation transitions.

关键词： climate environmental gradient soil southeastern Brazil vegetation

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A Dialogue System for Coherent Reasoning with Inconsistent Knowledge Bases

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Journal of Computer and Communications 2015年第8期3卷 11-19页

作者： Silvio do Lago Pereira Luiz Felipe Zarco dos Santos Lucio nunes de Lira Department of Information Technology FATEC-SP/CEETEPS S&atilde o Paulo Brazil

Traditionally, the AI community assumes that a knowledge base must be consistent. Despite that, there are many applications where, due to the existence of rules with exceptions, inconsistent knowledge must be considered. One way of restoring consistency is to withdraw conflicting rules;however, this will destroy part of the knowledge. Indeed, a better alternative would be to give precedence to exceptions. This paper proposes a dialogue system for coherent reasoning with inconsistent knowledge, which resolves conflicts by using precedence relations of three kinds: explicit precedence relation, which is synthesized from precedence rules;implicit precedence relation, which is synthesized from defeasible rules;mixed precedence relation, which is synthesized by combining explicit and implicit precedence relations.

关键词： Defeasible Reasoning Inconsistent Knowledge Precedence Relation Dialogue System

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Morphological Characterization of Mango （Mangifera indica） Accessions Based on Brazilian Adapted Descriptors

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Journal of Agricultural Science and Technology(B) 2013年第11期3卷 798-806页

作者： Ierla Carla nunes dos Santos Ribeirol Carlos Antonio Femandes Santos Francisco Pinheiro Lima Neto State University of Feira de Santana Feira de Santana 44036-900 Bahia Brazil Embrapa Semidrido Petrolina 56302-970 Pernambuco Brazil

The aim of this study was to characterize 103 mango accessions of the field germplasm collection of Embrapa semi-arid region, located in Juazeiro, Bahia, Brazil and to apply 50 morphological descriptors established by the Brazilian Ministry of Agriculture, livestock and supply to help in the development of new mango cultivars for the Northeastern region of Brazil. Four trees were selected for each accession and eight adult leaves, eight flowers and 16 fruits were collected from each tree. Morphological characteristics ranging from plant size to seed embryo were evaluated. Simple percentages were estimated for all the descriptors. Only the descriptors for leaf symmetry and fruit waxiness did not show variability among the accessions. Eight accessions did not show fruits with fibers, while nine other accessions presented flesh firmness, which is an important characteristic to improve breeding. The soluble solids content was high, above 14 ~Brix for 95% of the accessions with Tommy Atkins showing the lowest value, 12.5 ~Brix. A great diversity was found in the color of the epidermis ranging from green to red. The accessions Amrapali and Salitre presented a dark orange flesh color. The obtained data set, are the most comprehensive so far in Brazil, it allows choosing the best parents to develop new cultivars and will also contribute to the protection of mango cultivars in Brazil.

关键词： Mango germplasm bank accessions morphological descriptors the international union for the protection of newvarieties of plants (UPOV).

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Optimization Techniques and Development of Neural Models Applied in Biosurfactant Production by <i>Bacillus subtilis</i>Using Alternative Substrates

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Advances in Bioscience and Biotechnology 2017年第10期8卷 343-360页

作者： Juliana Ferrari Ferreira Secato Brunno Ferreira dos Santos Alexandre nunes Ponezi Elias Basile Tambourgi School of Chemical Engineering (FEQ) Department of Chemical Systems Engineering (DESQ) University of Campinas Campinas Brazil Department of Chemical and Materials Engineering (DEQM) Pontifical Catholic University of Rio de Janeiro Rio de Janeiro Brazil Research Center for Chemistry Biology and Agriculture (CPQBA) University of Campinas Campinas Brazil

Bacillus subtilis was investigated as production of biosurfactant using a combination based on waste of candy industry and glycerol from biodiesel production process as only substrate. The experimental design chosen for optimization by response surface methodology was a central composite rotatable design (CCRD) and dry weight (DW) and crude biosurfactant (CB) concentrations were selected as responses in analysis. Two techniques were implemented response surface methodology (RSM) and artificial neural network (ANN). First challenge of study was to assess the effects of the interactions between variables and reach optimum values. With the CCRD results, RSM and ANN models were developed, optimizing the production of biosurfactant. The correlation coefficients (R2) of RSM models explained 88% for DW and 73% for CB of the interactions among substrate concentrations, while ANN models explained 99% for DW and 98% for CB, demonstrating that developed ANN models were more accurate and consistent in predicting optimized conditions than RSM model. The maximum DW and CB produced in the optimum conditions were 25.60 ± 5.0 g/L and 668 ± 40 mg/L, respectively. The crude biosurfactant also showed applications in cases of oil spreading in water due to clear zone produced in Petri dishes assays.

关键词： Biosurfactant Bacillus subtilis Response Surface Methodology Artificial Neural Network Oil Spreading Waste Management

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