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Virtual Screening and Molecular Docking for Arylalkylamine-N-Acetyltransferase(aaNAT)Inhibitors,a Key Enzyme of Aedes(Stegomyia)aegypti(L.)Metabolism

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Computational Molecular Bioscience 2015年第3期5卷 35-44页

作者： Bruno Luis Alves Lourenco Maicon Vinícius Araújo Santos silva Elisson Barros de Oliveira Wagner Rodrigues de Assis soares Aristóteles Góes-Neto Gesivaldo Santos Bruno silva Andrade Departamento de Saúde II Universidade Estadual do Sudoeste da Bahia (UESB) Jequié Brasil Departamento de Ciências Biológicas Universidade Estadual de Feira de Santana (UEFS) Feira de Santana Brasil Departamento de Ciências Biológicas Universidade Estadual do Sudoeste da Bahia (UESB) Jequié Brasil

Background: Dengue is a Neglected tropical disease (NTDs) with high incidence in Brazil. This disease is caused by Dengue virus and is transmitted by Aedes aegypti mosquito. The search for new approaches for controlling of this disease is the subject of numerous studies. The aaNAT is a key enzyme in the metabolism of A. aegypti and is crucial in the sclerotization process, as well as regulation of circadian rhythm and inactivation of neurotransmitters. Computational techniques applied to studies of biological systems become an effective weapon in the mapping and management of 3D data structures, giving direction and guidance of potential ligands that can form stable complexes with targets of interest, using a Molecular Docking approach. The present study was conducted by a virtual screening, followed by docking calculations, in order to find molecules that could inhibit aaNAT. In this study, we used available compounds in SAM database (Bioinformatics and Medicinal Chemistry Laboratory—Southwest Bahia State University, Jequié-Bahia, Brazil), PubChem and ZINC. Results: The result of dockings with selected ligands showed good energy affinities, presenting potential inhibitory interactions with the enzyme active site. Conclusions: The Coa-S-acetyl-tryptamine and 3-indoleacriloil-coenzyme-A showed the same binding energies -8.9 Kcal/Mol and were described as possible inhibitors of aaNAT.

关键词： Aedes aegypti aaNAT Virtual Screening Molecular Docking

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The in Vitro Antioxidant Capacities of Hydroalcoholic Extracts from Roots and Leaves of Smallanthus sonchifolius (Yacon) Do Not Correlate with Their in Vivo Antioxidant Action in Diabetic Rats

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Journal of Biosciences and Medicines 2016年第2期4卷 15-27页

作者： Ana Carla Broetto Biazon Mariana Marques Nogueira Wendt Júlia Rosa Moreira Cristiane Vizioli Castro Ghizoni Andreia Assunção soares Sandra da silva Silveira Anacharis Babeto de Sá-Nakanishi Ciomar Aparecida Bersani Amado Rosane Marina Peralta Adelar Bracht Jurandir Fernando Comar Pharmacy Department Faculdades Integrado Campo Mourao Brazil Biochemistry Department University of Maringá Maringá Brazil Pharmacology and Therapeutics Department University of Maringá Maringá Brazil

Leaf and root extracts of Smallanthus sonchifolius (yacon), have antihyper-glycemic activity and antioxidant properties. The present study aims to compare the in vivo hepatic antioxidant activity of hydroalcoholic extracts of yacon leaves and roots in rats with streptozotocin-induced diabetes in terms of their in vitro antioxidant capacity. Rats were treated during 14 days with 1060 mg·Kg-1 root extract or 400 mg·Kg-1 leaf extract. The latter was richer in phenolics and possessed a much higher in vitro antioxidant activity. Both extracts prevented hyperglycemia in diabetic rats. The liver of diabetic rats presented increased levels of protein carbonyls and ROS and decreased activities of antioxidant enzymes. Treatment with both root and leaf extracts restored the protein carbonyl levels to normality. The root extract also restored the ROS levels to normality, but the leaf extract was not effective. The root extract was also more effective in restoring the activity of at least two important antioxidant enzymes (glucose 6-phosphate dehydrogenase and glutathione peroxidase). In terms of the antioxidant load (which was 17 times lower in the root extract treatment), the in vivo action of the root extract was more effective than the leaf extract in reducing the hepatic oxidative stress that accompanies diabetes.

关键词： Smallanthus sonchifolius Yacon Streptozotocin-Induced Diabetes Liver Oxidative Status

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Morbid Obesity: A Review on the Reasons for Impediments to Physical Exercises and Social Activities

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Modern Plastic Surgery 2020年第3期10卷 93-100页

作者： José Humberto Cardoso Resende Mattheus Duarte da Veiga Jardim Brena Thamyres de Andrade Irineu Leydeane Rosa Gomes Gontijo Lucas Radi Cruvinel Zeno Augusto de Sousa Neto Rodrigo Gonç alves de Oliveira daniel soares de Araújo Emídio silva Falcã o Brasileiro UNIFAN Work Coordinator Aparecida de Goi&#226 nia Brazil UNIFAN Academics of Medicine Aparecida de Goi&#226 nia Brazil UNIFAN Research Coordinator Aparecida de Goi&#226 nia Brazil

Morbid obesity is regarded as a disease due to excess body weight, causing a silence of life as a whole and entailing the most varied disabilities for the person, such as: physical, social, psychological, affective, etc. It represents cases of “public health”, thereby involving competent bodies in the development of solutions that encompass various medical specialties and other health fields, in addition to influencing the mind of these people, causing depression that, due to metabolic involvement, can evolve to the death of the individual. The participation of multidisciplinary health focuses on weight loss, freely and spontaneously, or on the indication of bariatric surgery. We know how difficult it is to lose weight. In order to achieve successful procedures, we recommend the “Obese Workshop” or pre- and post-surgical follow-ups close to the patients, with a view to avoiding recurrences or the “accordion effect” (very common), which can interfere with the Body Mass Index (BMI). Everyone, males and females, complained of tiredness and the impossibility of any physical exercise, even the lightest and simplest to be performed, in addition to the fact that they cannot attend gyms and are unable to open a simple door handle.

关键词： Obesity Hypertension Diabetes Bariatric Illness Physical Exercise

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Propranolol hydrochloride degradation using La@TiO_(2) functionalized with CMCD

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Journal of Rare Earths 2022年第4期40卷 579-585,I0003页

作者： Gustavo Lopes Colpani Vitor Follmann Santos Rubieli Carla Frezza Zeferino Micheli Zanetti Josiane Maria Muneron de Mello Luciano Luiz silva Natan Padoin Regina de Fatima Peralta Muniz Moreira Márcio Antônio Fiori Cíntia soaresc Post-Graduate Program in Technology and Innovation Management Community University of ChapecóRegionChapecó89809-900Brazil Department of Chemical Engineering Community University of ChapecóRegionChapecó89809-900Brazil Laboratory of Materials and Scientific Computing(LabMAC) Department of Chemical and Food EngineeringFederal University of Santa CatarinaFlorianópolis88040-900Brazil

Propranolol hydrochloride can be considered a persistent and bioaccumulative pharmaceutical in the *** drug and its by-products are potentially toxic and have adverse effects,since these compounds have been associated with endocrine-disrupting effects,reproductive deficiencies,embryo abnormalities and pericardial ***_(2)–La 0.05%–carboxymethyl-β-cyclodextrin(CMCD)nanoparticles were successfully prepared by a simple two-step method,which consists of sonification and *** characterization analyses reveal that lanthanum is dispersed on the semiconductor surface,probably forming Ti–O–La bonds,which can induce oxygen vacancies and surface defects that effectively restrain the recombination of photogenerated electron/holes *** efficiency of TiO_(2)–La 0.05%–CMCD samples in degradation of propranolol under UV-light irradiation is higher than that of pristine TiO_(2) within 20 min reaction,probably due to complex formation between theβ-blocker and the oligosaccharide,which allows us to propose a photocatalytic mechanism based on the formation of intermediates and competition of these compounds to the radicals and CMCD cavities.

关键词： TiO_(2) Lanthanum CMCD Propranolol Photocatalysis Functionalization

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Effect of Osmotic Stress on the Initial Development of Bean Seedlings

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American Journal of Plant Sciences 2014年第13期5卷 1973-1982页

作者： Pablo Diego silva Cabral Leonardo N.S.dos Santos Henrique Duarte Vieira Tais Cristina Bastos soares Cintia Aparecida Bremenkamp Weverton Pereira Rodrigues University of North Rio de Janeiro State darcy Ribeiro Rio de JaneiroBrazil Faculty of Agricultural Engineering University of CampinasSao PauloBrazil Agricultural Sciences Center Federal University of Espirito SantoVictoriaBrazil Instituto Capixaba de Pesquisa e Extensao Rural—INCAPER VictoriaBrazil

One of the methods to determine the tolerance of plants to water stress is the observation of germination of seeds under stress induced in laboratory conditions. Thus, the aim was to evaluate the response of four common bean cultivars to water deficit simulated under laboratory conditions. Two common landrace genotypes acquired from farmers (FORT 07 and FORT 08) and two commercial cultivars, IAPAR 81 and Serrano were evaluated. The different levels of water deficit were induced with mannitol solution. The experimental design was completely randomized and a factorial scheme 5 × 4 (osmotic potential x genotypes), with four replications. The characteristics: primary root protrusion, seed vigor, normal and abnormal seedling, seedling and root length, fresh and dry weight of seedling and root were evaluated. By reducing the osmotic potential seedling vigor bean was more affected than the primary root protrusion. Regardless of cultivar, there was a significant and progressive reduction in the normal seedlings percentage from potential -0.3 MPa. The IAPAR 81 and FORT 07 cultivars showed higher tolerance to water deficit compared to other cultivars.

关键词： Phaseolus vulgaris L. Mannitol Water Stress

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Pressure Ulcers in Institutionalized Elderly People:Association of Sociodemographic and Clinical Characteristics and Risk Factors

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Open Journal of Nursing 2017年第1期7卷 111-122页

作者： Suellen Duarte de Oliveira Matos Iraktania Vitorino Diniz Adriana Lira Rufino de Lucena Smalyanna Sgren da Costa Andrade Karen Krystine Goncalves de Brito Elizabeth Souza silva de Aguiar Emanuelle Malzac Freire de Santana Mailson Marques de Sousa Ana Paula Marques Andrade de Souza Hemílio Fernandes Campos Coelho Mirian Alves da silva Marta Miriam Lopes Costa Maria Julia Guimaraes Oliveira soares Simone Helena dos Santos Oliveira Graduate Program in Nursing Universidade Federal da ParaíbaJoao PessoaBrazil Departament of Statistics Universidade Federal da ParaíbaParaíbaBrazil

Objective: To evaluate the association of socio-demographic and clinical characteristics, and risk factors with occurrence of pressure ulcers in institutionalized elderly people. Method: This cross-sectional, analytical study, in quantitative approach, performed from the database analysis linked to the project “Pressure Ulcer in institutionalized elderly people: Association of incidence with the risk factors to functional and nutritional assessment” developed in six long-stay institutions for the elderly people in João Pessoa. data were analyzed using the Statistical Package for Social Sciences (SPSS) version 20.0. Associations were made through chi square test and Odds Ratio. Results: The clinical conditions of significant associations with the occurrence of pressure ulcers were the variables neurological disorders (p = 0.011) and visual impairment (p = 0.005). As for risk factors, the most important was fecal incontinence (p Conclusion: The analysis of the associations pointed out problems that require intervention in order to prevent health implications of the elderly people and to minimize the risk and occurrence of this injury.

关键词： Elderly People Institutions for the Elderly People Pressure Ulcer Health Profile Risk Factors

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“In Vitro”Antibacterial Activity of the Hidroalcoholic Extract of the Schinus terebinthifolius Raddi Barks

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Advances in Microbiology 2014年第12期4卷 761-765页

作者： Erica Renata Nogueira Sá Cássio Ilan soares Medeiros Juliana Raquel de Morais Santos Oliveira Antonio José de Jesus Evangelista Maria Iranilda silva Magalhaes Geraldo Goncalves de Almeida Filho Andréa Maria Rolim da Paz Hilzeth de Luna Freire Pessoa Department of Microbiology Research Integrated College of PatosPatosBrazil Department of Medical Sciences Federal University of CearáCearáBrazil Department of Health Sciences Cruzeiro of Sul UniversitySao PauloBrazil Department of Pharmaceutical Technology Federal University of ParaíbaJoao PessoaBrazil Department of Cell and Molecular Biology Federal University of ParaíbaJoao PessoaBrazil

The Schinus terebinthifolius Raddi is a native plant of South America popularly known in Brazil as aroeira. It is a medium-sized plant, which demonstrates a high adaptive potential in various environments, besides having various medicinal properties such as anti-inflammatory and antidiarrheal. Bacterial susceptibility tests were carried out and the minimal inhibitory concentration (MIC) was obtained. The results were interpreted based on the conventionally microbiological protocols and data from the CLSI. For the microbiological tests, microorganisms obtained from the American Type Culture Collection (ATCC), specifically, (Pseudomonas aeruginosa, Staphylococcus aureus and Encherichia coli) were used. Of the tested bacterial strains, only the Staphylococcus aureus 6538 presented susceptibility to the aroeira’s hydroalcoholic extract, forming zones of inhibition of 8.0 mm of diameter up to the MIC of 35.3 mg/mL, while the other tested strains showed to be resistant in all the concentrations of hydroalcoholic extract of the Schinus terebinthifolius Raddi bark. Our aim is to analyze the “in vitro” antibacterial potential of the 70% hydroalcoholic extract of the Schinus terebinthifolius Raddi.

关键词： Aroeira Antibacterial Activity Schinus terebinthifolius Raddi Hydroalcoholic Extract

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Effect of Ultra-Turrax on Nanocellulose Produced by Acid Hydrolysis and Modified by Nano ZnO by Sol-Gel Method

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Materials Sciences and Applications 2020年第2期11卷 150-166页

作者： Amanda Ramos Aragao Melo Jose Carlos Dutra Filho Roberto Pinto Cucinelli Neto Wellington silva Ferreira Braulio soares Archanjo Raphael Verdan Curti Maria Ines Bruno Tavares Instituto de Macromoléculas Professora Eloisa Mano Universidade Federal do Rio de JaneiroBl J do Centro de TecnologiaIlh do FundaoRio de JaneiroRJBrasil Instituto SENAI de Inovacao em Biossintéticos e Fibras Universidade Federal do Rio de JaneiroRio de JaneiroBrasil Instituto de Biofísica Carlos Chagas Universidade Federal do Rio de JaneiroRio de JaneiroBrasil Divisao de Metrologia de Materiais Instituto Nacional de MetrologiaQualidade e Tecnologia(INMETRO)Duque de CaxiasBrasil

Cellulose nanocrystals (NCC) and cellulose nanofibrils (CNF) were obtained by a single step process, with synergy between 64% sulfuric acid hydrolysis and high shear from ultra-turrax stirring, which is an advantageous process for disintegrating cellulose microcrystalline and also may improve the hydrolysis process. The surface modification on the cellulose was performed by the sol-gel process, in which the sulfate groups from hydrolysis were replaced by nanoparticles of zinc oxide, which led to the increase of up to 54°C Tonset, according to thermogravimetric analysis (TGA) results. The morphology and crystallinity degree were characterized by Helium Ion Microscopy (HIM), atomic force microscopy (AFM) and X-ray diffraction. In addition, the ZnO band was observed in Fourier transform infrared spectroscopy, furthermore, the change in the zeta potential confirmed the cellulose modification. The changes in the values of proton spin-spin relaxation time for the systems showing the confined hydrogen in the rigid domains, confirmed the results observed with the aforementioned techniques, for both cellulose after hydrolysis and ZnO modified cellulose, suggesting that ZnO disrupted crystal formation in cellulose.

关键词： Cellulose Nanocrystal Cellulose Nanofibril Nano Zinc Oxide Acid Hydrolysis Sol-Gel

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Metabolic-associated fatty liver disease is associated with low muscle mass and strength in patients with chronic hepatitis B

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World Journal of Hepatology 2022年第8期14卷 1652-1666页

作者： Cecy Maria de Lima Santos Matheus Duarte Brito Pedro Alves soares Vaz de Castro Thais Pontello de Vries Nataly Lopes Viana Marta Paula Pereira Coelho Olívio Brito Malheiro Tatiana Bering Maria Cristina Gonzalez Rosangela Teixeira Rodrigo Dias Cambraia Gifone Aguiar Rocha Luciana Diniz silva Sciences Applied to Adult Health Care Post-Graduate Programme Faculdade de Medicina Universidade Federal de Minas GeraisBelo Horizonte 30130-100Minas GeraisBrazil Outpatient Clinic of Viral Hepatitis Instituto Alfa de GastroenterologiaFaculdade de MedicinaUniversidade Federal de Minas GeraisBelo Horizonte 30130-100Minas GeraisBrazil Faculdade de Medicina Universidade Federal de Minas GeraisBelo Horizonte 30130-100Minas GeraisBrazil Department of Locomotor System Faculdade de MedicinaUniversidade Federal de Minas GeraisBelo Horizonte 30130-100Minas GeraisBrazil Department of Food and Nutrition Universidade Federal de Mato GrossoCuiabá78060-900Mato GrossoBrazil Postgraduate Program in Health and Behaviour Catholic University of PelotasPelotas 96015-560Rio Grande do SulBrazil Laboratory of Research in Bacteriology Faculdade de MedicinaUniversidade Federal de Minas GeraisBelo Horizonte 30130-100Minas GeraisBrazil Department of Internal Medicine Universidade Federal de Minas GeraisBelo Horizonte 30130-100Minas GeraisBrazil

BACKGROUND Although the prognostic relevance of sarcopenia has been increasingly recognised in the context of liver disease,there is a paucity of data evaluating body composition in patients with chronic hepatitis B(CHB).Beyond virus-related factors,nutritional and metabolic aspects can be associated with skeletal muscle abnormalities in these patients and should not be *** To evaluate the association between components of sarcopenia and demographic,clinical,lifestyle,nutritional,and biochemical variables in CHB *** Dual-energy X-ray absorptiometry(DXA)was used to assess muscle mass by quantifying appendicular lean mass(ALM)adjusted for body mass index(ALMBMI).Muscle function was evaluated by hand grip strength(HGS)and the timed up and go ***-associated fatty liver disease(MAFLD)was defined according to the criteria proposed by an international expert panel.A body shape index and the International Physical Activity Questionnaire were used to assess central obesity and physical activity level,*** This cross-sectional study included 105 CHB outpatients followed at the tertiary care ambulatory centre(mean age,48.5±12.0 years;58.1%males;76.2%without cirrhosis;23.8%with compensated cirrhosis).The DXA-derived fat mass percentage was inversely correlated with the ALMBMI(r=-0.87)and HGS(r=-0.63).In the multivariable analysis,MAFLD,sedentarism and central obesity were positively and independently associated with low *** and central obesity were independently associated with low *** MAFLD and central obesity were associated with low muscle mass and strength in patients with chronic hepatitis B,independent of the liver disease stage.

关键词： Chronic hepatitis B Appendicular lean mass Muscle strength Metabolic associated fatty liver disease Central obesity Physical performance

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High prevalence of vitamin A deficiency in Crohn's disease patients according to serum retinol levels and the relative dose-response test

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World Journal of Gastroenterology 2015年第5期21卷 1614-1620页

作者： Márcia soares-Mota Tianny A silva Luanda M Gomes Marco AS Pinto Laura MC Mendon?a Maria Lúcia F Farias Tiago Nunes Andrea Ramalho Cyrla Zaltman Instituto de Nutricao Josué de Castro Federal University of Rio de JaneiroRio de Janeiro 21941-913Brazil Departamento de Clínica Médica Hospital Universitário Clementino Fraga FilhoFederal University of Rio de JaneiroRio de Janeiro 21941-901Brazil Nutrition and Immunology Chair ZIEL Research Center for Nutrition and Food SciencesTechnical University of MünchenFreising-Weihenstephan80333 MünchenGermany

AIM:To assess the vitamin A status of patients with Crohn's disease(CD) by evaluating serum retinol levels and the relative dose response(RDR) test(liver retinol stores).METHODS:Vitamin A nutritional status was measured by serum retinol obtained by high performance liquid chromatography and the RDR test for evaluation of the hepatic *** composition was performed by densitometry by dual-energy X-ray *** A dietary intake was assessed from a semiquantitative food frequency ***:This study included 38 CD patients and 33 *** serum retinol concentrations were detected in 29% of CD patients vs 15% in controls(P < 0.005).The RDR test was positive in 37% of CD patients vs 12% in controls,which indicated inadequate hepatic vitamin A stores(P < 0.005).Individuals with hypovitaminosis A had lower BMI and body fat compared with those without this *** was no association between vitamin A deficiency and its dietary intake,ileal location,presence of disease activity and prior bowel ***:Patients with CD have higher prevalence of vitamin A deficiency,as assessed by two independent methods.

关键词： Crohn's disease Vitamin A Serum retinol Relative dose response test Body composition

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