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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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Measuring the density of the fissula antefenestram and the section of the basal turn of the cochlea:Are they useful in the radiological diagnosis of otosclerosis?

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Journal of Otology 2022年第2期17卷 84-89页

作者： Lucas Resende Lucinda Mangia Gabriel lucca de oliveira Salvador Bettina Carvalho Rogerio Hamerschmidt department of Otolaryngology Head and Neck SurgeryHospital de Clínicas da Universidade Federal do ParanaGeneral Carneiro st181CuritibaBrazil department of Imaging and Radiology Head and Neck SurgeryHospital de Clínicas da Universidade Federal do ParanaGeneral Carneiro st181CuritibaBrazil

Introduction:The role of objective parameters in terms of improvement of the accuracy of highresolution computed tomography(HRCT)of the temporal bone in the diagnosis of otosclerosis remains ***:To investigate the relationship between the density of the fissula antefenestram(FAF)and of the width of the transversal section of the basal turn of the cochlea(BTC),and the diagnosis of ***:This is a retrospective study in which preoperative HRCT data from ears of patients submitted to stapedotomy due to otosclerosis(case group)were *** the control group,normal hearing ears having undergone HRCT for other purposes were *** and control HRCT images were objectively assessed by an experienced blinded *** this evaluation,measurements of the relative radiological density of the FAF and of the transversal section of the BTC were *** results were compared between the ***,a receiver operating characteristic curve was created and the area under the curve(AUC)was calculated for each *** level was set ***:40 ears were included in each *** ears presented reduced values for the relative radiological density on the FAF(p-valuedensity on the FAF and narrower *** relative density of the FAF also shows a great diagnostic power in the context of this disease.

关键词： Otosclerosis Computed tomography Imaging diagnosis

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Elevated calprotectin levels are associated with mortality in patients with acute decompensation of liver cirrhosis

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World Journal of Hepatology 2022年第11期14卷 1964-1976页

作者： Camila Matiollo Elayne Cristina de Morais Rateke Emerita Quintina de Andrade Moura Michelle Andrigueti Fernanda Cristina de Augustinho Tamara Liana Zocche Telma Erotides Silva Lenyta oliveira Gomes Mareni Rocha Farias Janaina Luz Narciso-Schiavon Leonardo lucca Schiavon Clinical Analysis Laboratory Unit University HospitalFederal University of Santa CatarinaFlorianopolis 88040-900Brazil Division of Gastroenterology University HospitalFederal University of Santa CatarinaFlorianópolis 88040-900Brazil department of Pharmaceutical Sciences Health Sciences Center Federal University of Santa CatarinaFlorianópolis 88040-370Brazil Division of Gastroenterology Department of Internal MedicineFederal University of Santa CatarinaFlorianopolis 88040-900SCBrazil

BACKGROUND Acute decompensation(AD)of cirrhosis is related to systemic inflammation and elevated circulating *** this context,biomarkers of inflammation,such as calprotectin,may be of prognostic *** To evaluate serum calprotectin levels in patients hospitalized for complications of *** This is a prospective cohort study that included 200 subjects hospitalized for complications of cirrhosis,20 outpatients with stable cirrhosis,and 20 healthy *** calprotectin was measured by enzyme-linked immunosorbant *** Calprotectin levels were higher among groups with cirrhosis when compared to healthy *** median calprotectin was related to Child-Pugh C,ascites,and hepatic *** calprotectin was related to acute-on-chronic liver failure(ACLF)and infection in the bivariate,but not in multivariate *** was not associated with survival among patients with ACLF;however,in patients with AD without ACLF,higher calprotectin was associated with a lower 30-d survival,even after adjustment for chronic liver failure-consortium(CLIF-C)AD score.A high-risk group(CLIF-C AD score≥60 and calprotectin≥580 ng/mL)was identified,which had a 30-d survival(27.3%)similar to that of patients with grade 3 ACLF(23.3%).CONCLUSION Serum calprotectin is associated with prognosis in patients with AD without ACLF and may be useful in clinical practice to early identify patients with a very low short-term survival.

关键词： Inflammation Liver cirrhosis Acute-on-chronic liver failure

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