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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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Effect of radiative loss mechanisms on FIR thermometric parameters of Nd^(3+)-doped lithium tellurite glasses

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Journal of Rare Earths 2024年第7期42卷 1250-1257,I0002页

作者： C.Y.Morassuti A.P.L Silva L.A.O.nunes S.M.Lima L.H.C.Andrade Optical and Photothermal Spectroscopy Group(GEOF) Center for Studies in Natural Resources(CERNA)State University of Mato Grosso do Sul(UEMS)C.P.351DouradosMSBrazil Renato Archer Information Technology Center Dom Pedro I Highway(SP-65)Km 1436-Chácaras Campos dos AmaraisCampinasSPBrazil Institute of Physics of São Carlos University of São PauloSão CarlosSPBrazil

Nd^(3+)-doped tellurite glasses are promising materials for thermometers based on the fluorescence intensity ratio(FIR)***,at high Nd^(3+)concentrations,energy transfer(ET)processes such as optical reabsorption and cross-relaxation can affect the Nd^(3+)emission,which has been little explored in the ***,the present work investigated the use of Nd^(3+)-doped tellurite glass(samples doped with Nd^(3+)at 0.2 mol%,0.5 mol%,2.0 mol%,and 4.0 mol%)in fluorescence thermometers,in the temperature range from 299 to 371 *** results indicate a strong dependence of the FIR parameters on the Nd^(3+)concentration,due to changes in the emission band profiles caused by optical reabsorption of the Nd^(3+)emissions and cross-relaxation processes.A decrease of the relative sensitivity of the ratio^(4)F_(5/2)→^(4)I_(9/2)/^(4)F_(3/2)→^(4)I_(9/2)is observed for samples doped with higher amounts of Nd^(3+).The maximum relative sensitivity at 299 K is 3.00%/K,which is the highest value among the reported Nd^(3+)ions.

关键词： Nd^(3+)-doped tellurite glass Fluorescence intensity ratio Optical thermometry Judd-Ofelt Rare earths

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In Silico and in Vitro Analysis of Pyrazolone Derivatives against Zika Virus and Identification of Potential NS5 Methyltransferase Inhibitors by Molecular Docking

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Journal of Biosciences and Medicines 2024年第7期12卷 214-229页

作者： Luciene Soares Silva Tiago Soares Barbosa Maria Leonisa Sanchez-Nuñez Aldenise Mont Serrat Rosa da Silva Vitor Won-Held Rabelo Leonardo dos Santos Corrêa Amorim Leonardo Alves Miceli Percilene Fazolin Vegi Alice Bernardino Helena Carla Castro Izabel Christina nunes de Palmer Paixão Science and Biotechnology Graduate Program Department of Cellular and Molecular Biology Institute of Biology Fluminense Federal University Niteri Brazil Science and Biotechnology Graduate Program Department of Cellular and Molecular Biology Institute of Biology Fluminense Federal University Niterói Brazil Laboratory of Antibiotics Biochemistry Teaching and Molecular Modeling Institute of Biology Fluminense Federal University Niterói Brazil Laboratory of Organic Chemistry at the Institute of Chemistry Institute of Biology Fluminense Federal University Niterói Brazil

Zika virus (ZIKV), a mosquito-borne flavivirus, has been associated with benign infections for decades. However, it has become a public health concern due to its association with severe fetal and neurological complications. Although many efforts have been made to control ZIKV infection, approved vaccines or antiviral drugs are still lacking. Consequently, the development of new effective anti-ZIKV agents is urgently needed. In this context, we investigated the antiviral potential of pyrazolone derivatives against ZIKV replication using in silico and in vitro methods. The four pyrazolone derivatives evaluated (1a, 1b, 1c, and 1d) inhibited over 50% of ZIKV replication with low cytotoxicity. Among them, compound 1b exhibited the most potent activity (EC50 = 4.3 μM) and the highest selectivity (SI = 342). Mechanism of action studies indicated that these compounds act at early stages of virus replication, and compound 1b can also directly inactivate ZIKV particles. Molecular docking studies suggested that these compounds can bind to and block the activity of ZIKV NS5 methyltransferase. Finally, pharmacokinetic and toxicological predictions have reinforced the safety and drug-like profiles of these derivatives. In conclusion, the pyrazolone scaffold proved to be valuable for anti-ZIKV drug development, and the derivatives studied deserve further investigation.

关键词： Zika Pyrazolone NS5 Methyltransferase Antivirals

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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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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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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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Microcephaly prevalence after the 2015 to 2016 Zika outbreak in Tangará da Serra, Brazil: a population-based study

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Reproductive and Developmental Medicine 2022年第2期6卷 98-103页

作者： Juliana Herrero da Silva Ana Claudia Pereira Tercas-Trettel Juliano Andre Boquett Giovanny Vinicius Araujo Franca Augusto Cesar Cardoso-dos-Santos Marina Atanaka Marcelo Zagonel Oliveira Anna Pires Terra Viviane Karoline Vivi Lucia Andreia nunes de Oliveira Lucia Schaedler Ronaldo Fernandes Santos Alves Lavinia Schuler-Faccini Prefeitura Municipal de Tangara da Serra Secretaria de SaudeVigilancia EpidemiologicaTangara da SerraBrazil Programa de Pos-Graduacao em Genetica e Biologia Molecular Universidade Federal do Rio Grande do SulPorto AlegreBrazil Universidade do Estado de Mato Grosso Tangara da SerraBrazil Programa de Pos-Graduagcao em Saude Coletiva Universidade Federal de Mato GrossoCuiabaBrazil Instituto Nacional de Genetica Medica Populacional-INaGeMP Servico de Genetica MedicaHospital de Clinicas de Porto Alegre(HCPA)Porto AlegreBrazil Programa de Pos-Graduacao em Saude da Crianga e do Adolescente Universidade Federal do Rio Grande do SulPorto AlegreBrazil Secretaria de Vigilancia em Saude Ministerio da SaudeBrasiliaBrazil Laboratorio de Visualizacao Avangada e Geoinformatica(VIZLab) Programa de Pos-Graduacao em Computacao AplicadaUniversidade do Vale do Rio dos SinosSao LeopoldoBrazil Programa de Pos-Graduacao em Ciencia da Informacao Universidade Federal do Rio Grande do SulPorto AlegreBrazil Clinica Santa Luzia Tangara da SerraBrazil

Objective::Prenatal infection with the Zika virus (ZIKV) can lead to congenital Zika syndrome (CZS), characterized by microcephaly and brain injury. However, there are questions regarding the prevalence of microcephaly/CZS after the ZIKV outbreak in defined geographic areas. This study aimed to identify adverse outcomes in live births of fetuses exposed in utero to the ZIKV, compared to unexposed births, as well as maternal sociodemographic, delivery, and birth ***::Here, we conducted a cross-sectional observational study to investigate the characteristics of all live births in the city of Tangará da Serra, Mato Grosso, Brazil, in 2016, after the outbreak of ZIKV infection in late 2015. All live births of children to women residing in the municipality of Tangará da Serra between January 1 and December 31, 2016, were evaluated, and head circumference was measured at birth and after 24 hours. Children born with microcephaly or a maternal history of confirmed or suspected prenatal ZIKV infection were evaluated by a multidisciplinary team. The outcomes of the exposed and non-exposed children were compared. Prevalence ratios and their respective 95% confidence intervals were calculated for sociodemographic, delivery, and live birth ***::Of 1,441 live births, 106 (7.3%) were from mothers with confirmed or highly probable exposure to ZIKV. The prevalence of severe congenital microcephaly (41.7/10,000) in Tangará da Serra in 2016 was ten-fold higher than that in Latin America before ***::This study may serve as a model to investigate possible outbreaks of infections in a defined geographical space in the future.

关键词： Epidemiology Live births Microcephaly Zika virus

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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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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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