Base de dados : MEDLINE
Pesquisa : L01.313.500.750.300.188.400.400 [Categoria DeCS]
Referências encontradas : 661 [refinar]
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  1 / 661 MEDLINE  
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[PMID]:29220436
[Au] Autor:Ni Y; Jensen K; Kouskoumvekaki I; Panagiotou G
[Ad] Endereço:Systems Biology & Bioinformatics Group, School of Biological Sciences, The University of Hong Kong, Pokfulam Road, Hong Kong.
[Ti] Título:NutriChem 2.0: exploring the effect of plant-based foods on human health and drug efficacy.
[So] Source:Database (Oxford);2017, 2017 Jan 01.
[Is] ISSN:1758-0463
[Cp] País de publicação:England
[La] Idioma:eng
[Ab] Resumo:Database URL: http://sbb.hku.hk/services/NutriChem-2.0/.
[Mh] Termos MeSH primário: Bases de Dados de Produtos Farmacêuticos
Bases de Dados de Proteínas
Interações Alimento-Droga
Plantas Comestíveis
[Mh] Termos MeSH secundário: Biologia Computacional
Mineração de Dados
Seres Humanos
Interface Usuário-Computador
[Pt] Tipo de publicação:JOURNAL ARTICLE
[Em] Mês de entrada:1801
[Cu] Atualização por classe:180308
[Lr] Data última revisão:
180308
[Sb] Subgrupo de revista:IM
[Da] Data de entrada para processamento:171209
[St] Status:MEDLINE
[do] DOI:10.1093/database/bax044


  2 / 661 MEDLINE  
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[PMID]:29220433
[Au] Autor:Malhotra S; Mugumbate G; Blundell TL; Higueruelo AP
[Ad] Endereço:Department of Biochemistry, University of Cambridge, Tennis Court Road, Cambridge CB2 1GA, UK.
[Ti] Título:TIBLE: a web-based, freely accessible resource for small-molecule binding data for mycobacterial species.
[So] Source:Database (Oxford);2017, 2017 Jan 01.
[Is] ISSN:1758-0463
[Cp] País de publicação:England
[La] Idioma:eng
[Ab] Resumo:Database URL: http://www-cryst.bioc.cam.ac.uk/tible/.
[Mh] Termos MeSH primário: Antituberculosos/farmacologia
Proteínas de Bactérias
Bases de Dados de Produtos Farmacêuticos
Bases de Dados de Proteínas
Internet
Mycobacterium tuberculosis
[Mh] Termos MeSH secundário: Proteínas de Bactérias/química
Proteínas de Bactérias/metabolismo
Testes de Sensibilidade Microbiana
Mycobacterium tuberculosis/efeitos dos fármacos
Mycobacterium tuberculosis/enzimologia
Mycobacterium tuberculosis/metabolismo
Interface Usuário-Computador
[Pt] Tipo de publicação:JOURNAL ARTICLE
[Nm] Nome de substância:
0 (Antitubercular Agents); 0 (Bacterial Proteins)
[Em] Mês de entrada:1801
[Cu] Atualização por classe:180308
[Lr] Data última revisão:
180308
[Sb] Subgrupo de revista:IM
[Da] Data de entrada para processamento:171209
[St] Status:MEDLINE
[do] DOI:10.1093/database/bax041


  3 / 661 MEDLINE  
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[PMID]:29386431
[Au] Autor:Ohashi Y
[Ad] Endereço:Quality & Regulatory Compliance Unit, Chugai Pharmaceutical Co., Ltd.
[Ti] Título:[Safe Use of Recent New Drugs-Current Status and Challenges].
[So] Source:Yakugaku Zasshi;138(2):177-183, 2018.
[Is] ISSN:1347-5231
[Cp] País de publicação:Japan
[La] Idioma:jpn
[Ab] Resumo: In Japan and overseas, Chugai Pharmaceutical Company handles numerous biopharmaceuticals, molecular targeted therapies and other pharmaceuticals with innovative modes of action. Expert safety evaluation is essential for promoting the appropriate use of these pharmaceuticals around the world and in gaining acceptance from patients and healthcare professionals (HCPs), while speedy decision-making is crucial for the timely collection and provision of safety information and thus ensuring safety. In 2015, we collected safety information on more than 180000 cases and evaluated it from a medical standpoint. We have established a system for recording the collected information in a global database, and are conducting signal detection of adverse drug reactions using this database. With this system, we promptly disclose information to regulatory authorities in Japan, the US, Europe and Asia. We have in-house medical doctors with abundant clinical experience who conduct expert safety evaluations. Many innovative drugs, such as anticancer drugs or biopharmaceuticals, require wider-ranging, more rigorous management, including the provision of appropriate safety information to HCPs, management of distribution through wholesalers and dispensing pharmacies, and confirmation of conditions of use, in addition to all-case registration surveillance. With progress in the development of individualized medicine and drugs with new modes of action, in order for HCPs to understand the characteristics of these new drugs and use them appropriately, pharmacists and pharmaceutical companies should cooperate in promoting their appropriate use in the spirit of 'All Pharmacists for Patients'.
[Mh] Termos MeSH primário: Bases de Dados de Produtos Farmacêuticos
Serviços de Informação sobre Medicamentos
Efeitos Colaterais e Reações Adversas Relacionados a Medicamentos
Preparações Farmacêuticas
Farmacovigilância
Gestão de Riscos
[Mh] Termos MeSH secundário: Biofarmácia
Tomada de Decisões Gerenciais
Indústria Farmacêutica
Seres Humanos
Farmacêuticos
Medicina de Precisão/tendências
Segurança
[Pt] Tipo de publicação:JOURNAL ARTICLE
[Nm] Nome de substância:
0 (Pharmaceutical Preparations)
[Em] Mês de entrada:1802
[Cu] Atualização por classe:180228
[Lr] Data última revisão:
180228
[Sb] Subgrupo de revista:IM
[Da] Data de entrada para processamento:180202
[St] Status:MEDLINE
[do] DOI:10.1248/yakushi.17-00174-3


  4 / 661 MEDLINE  
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[PMID]:28853576
[Au] Autor:Chen Y; de Bruyn Kops C; Kirchmair J
[Ad] Endereço:Center for Bioinformatics, Department of Computer Science, Faculty of Mathematics, Informatics and Natural Sciences, Universität Hamburg , Hamburg 20146, Germany.
[Ti] Título:Data Resources for the Computer-Guided Discovery of Bioactive Natural Products.
[So] Source:J Chem Inf Model;57(9):2099-2111, 2017 Sep 25.
[Is] ISSN:1549-960X
[Cp] País de publicação:United States
[La] Idioma:eng
[Ab] Resumo:Natural products from plants, animals, marine life, fungi, bacteria, and other organisms are an important resource for modern drug discovery. Their biological relevance and structural diversity make natural products good starting points for drug design. Natural product-based drug discovery can benefit greatly from computational approaches, which are a valuable precursor or supplementary method to in vitro testing. We present an overview of 25 virtual and 31 physical natural product libraries that are useful for applications in cheminformatics, in particular virtual screening. The overview includes detailed information about each library, the extent of its structural information, and the overlap between different sources of natural products. In terms of chemical structures, there is a large overlap between freely available and commercial virtual natural product libraries. Of particular interest for drug discovery is that at least ten percent of known natural products are readily purchasable and many more natural products and derivatives are available through on-demand sourcing, extraction and synthesis services. Many of the readily purchasable natural products are of small size and hence of relevance to fragment-based drug discovery. There are also an increasing number of macrocyclic natural products and derivatives becoming available for screening.
[Mh] Termos MeSH primário: Produtos Biológicos/farmacologia
Projeto Auxiliado por Computador
Descoberta de Drogas/métodos
[Mh] Termos MeSH secundário: Animais
Produtos Biológicos/química
Bases de Dados de Produtos Farmacêuticos
Seres Humanos
[Pt] Tipo de publicação:JOURNAL ARTICLE; REVIEW
[Nm] Nome de substância:
0 (Biological Products)
[Em] Mês de entrada:1710
[Cu] Atualização por classe:171010
[Lr] Data última revisão:
171010
[Sb] Subgrupo de revista:IM
[Da] Data de entrada para processamento:170831
[St] Status:MEDLINE
[do] DOI:10.1021/acs.jcim.7b00341


  5 / 661 MEDLINE  
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[PMID]:28821685
[Au] Autor:Suzuki S; Ishikawa N; Konoeda F; Seki N; Fukushima S; Takahashi K; Uhara H; Hasegawa Y; Inomata S; Otani Y; Yokota K; Hirose T; Tanaka R; Suzuki N; Matsui M
[Ad] Endereço:From the Department of Neurology (S.S., N. Suzuki), Keio University School of Medicine, Tokyo; Department of Respiratory Medicine (N.I.), Hiroshima Prefectural Hospital, Hiroshima; Department of Neurology (F.K.), Saiseikai Central Hospital, Tokyo; Division of Medical Oncology (N. Seki), Teikyo Unive
[Ti] Título:Nivolumab-related myasthenia gravis with myositis and myocarditis in Japan.
[So] Source:Neurology;89(11):1127-1134, 2017 Sep 12.
[Is] ISSN:1526-632X
[Cp] País de publicação:United States
[La] Idioma:eng
[Ab] Resumo:OBJECTIVE: To report the clinical features of myasthenia gravis (MG) induced by treatment with immune checkpoint inhibitors using 2-year safety databases based on postmarketing surveys in Japan. METHODS: We studied 10,277 patients with cancer who had received monotherapy with either nivolumab or ipilimumab between September 2014 and August 2016. As the control group, 105 patients with idiopathic MG were used. RESULTS: There were 12 MG cases (0.12%) among 9,869 patients with cancer who had been treated with nivolumab, but none among 408 patients treated with ipilimumab. These 12 patients included 6 men and 6 women with a mean age of 73.5 ± 6.3 years. MG onset occurred in the early phase after nivolumab treatment and rapidly deteriorated. Nivolumab-related MG (nivoMG) included 4 patients with mild involvement and 8 patients with severe involvement. Bulbar symptoms and myasthenic crisis were observed more frequently in nivoMG than idiopathic MG. Ten patients were positive for anti-acetylcholine receptor antibodies. Serum creatine kinase levels were markedly elevated to an average level of 4,799 IU/L. Among the 12 patients with nivoMG, 4 had myositis and 3 had myocarditis, with 1 of these patients having both. Immunosuppressive therapy was effective. Postintervention status showed that pharmacologic remission or minimal manifestations were obtained in 4 patients; however, 2 patients died. Immune-related adverse events triggered by nivolumab impaired the patients' daily living activity. CONCLUSIONS: The prompt and correct recognition of MG following treatment with immune checkpoint inhibitors in patients with cancer is important.
[Mh] Termos MeSH primário: Anticorpos Monoclonais/efeitos adversos
Antineoplásicos/efeitos adversos
Miastenia Gravis/induzido quimicamente
Miocardite/induzido quimicamente
Miosite/induzido quimicamente
[Mh] Termos MeSH secundário: Atividades Cotidianas
Idoso
Idoso de 80 Anos ou mais
Anticorpos Monoclonais/uso terapêutico
Antineoplásicos/uso terapêutico
Autoanticorpos/sangue
Biomarcadores/sangue
Creatina Quinase/sangue
Bases de Dados de Produtos Farmacêuticos
Feminino
Seres Humanos
Imunossupressores/uso terapêutico
Ipilimumab
Japão
Masculino
Meia-Idade
Miastenia Gravis/sangue
Miastenia Gravis/complicações
Miastenia Gravis/tratamento farmacológico
Miocardite/sangue
Miocardite/complicações
Miocardite/tratamento farmacológico
Miosite/sangue
Miosite/complicações
Miosite/tratamento farmacológico
Neoplasias/sangue
Neoplasias/tratamento farmacológico
Resultado do Tratamento
[Pt] Tipo de publicação:JOURNAL ARTICLE
[Nm] Nome de substância:
0 (Antibodies, Monoclonal); 0 (Antineoplastic Agents); 0 (Autoantibodies); 0 (Biomarkers); 0 (Immunosuppressive Agents); 0 (Ipilimumab); 31YO63LBSN (nivolumab); EC 2.7.3.2 (Creatine Kinase)
[Em] Mês de entrada:1709
[Cu] Atualização por classe:171116
[Lr] Data última revisão:
171116
[Sb] Subgrupo de revista:AIM; IM
[Da] Data de entrada para processamento:170820
[St] Status:MEDLINE
[do] DOI:10.1212/WNL.0000000000004359


  6 / 661 MEDLINE  
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[PMID]:28813151
[Au] Autor:Sebastián-Pérez V; Roca C; Awale M; Reymond JL; Martinez A; Gil C; Campillo NE
[Ad] Endereço:Centro de Investigaciones Biológicas (CIB, CSIC) , Ramiro de Maeztu 9, 28040 Madrid, Spain.
[Ti] Título:Medicinal and Biological Chemistry (MBC) Library: An Efficient Source of New Hits.
[So] Source:J Chem Inf Model;57(9):2143-2151, 2017 Sep 25.
[Is] ISSN:1549-960X
[Cp] País de publicação:United States
[La] Idioma:eng
[Ab] Resumo:Identification of new hits is one of the biggest challenges in drug discovery. Creating a library of well-characterized drug-like compounds is a key step in this process. Our group has developed an in-house chemical library called the Medicinal and Biological Chemistry (MBC) library. This collection has been successfully used to start several medicinal chemistry programs and developed in an accumulation of more than 30 years of experience in drug design and discovery of new drugs for unmet diseases. It contains over 1000 compounds, mainly heterocyclic scaffolds. In this work, analysis of drug-like properties and comparative study with well-known libraries by using different computer software are presented here.
[Mh] Termos MeSH primário: Biologia Computacional/métodos
Bases de Dados de Produtos Farmacêuticos
Descoberta de Drogas/métodos
[Mh] Termos MeSH secundário: Seres Humanos
[Pt] Tipo de publicação:JOURNAL ARTICLE
[Em] Mês de entrada:1710
[Cu] Atualização por classe:171010
[Lr] Data última revisão:
171010
[Sb] Subgrupo de revista:IM
[Da] Data de entrada para processamento:170817
[St] Status:MEDLINE
[do] DOI:10.1021/acs.jcim.7b00401


  7 / 661 MEDLINE  
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[PMID]:28767711
[Au] Autor:Drewry DH; Wells CI; Andrews DM; Angell R; Al-Ali H; Axtman AD; Capuzzi SJ; Elkins JM; Ettmayer P; Frederiksen M; Gileadi O; Gray N; Hooper A; Knapp S; Laufer S; Luecking U; Michaelides M; Müller S; Muratov E; Denny RA; Saikatendu KS; Treiber DK; Zuercher WJ; Willson TM
[Ad] Endereço:Structural Genomics Consortium, UNC Eshelman School of Pharmacy, University of North Carolina at Chapel Hill, Chapel Hill, North Carolina, United States of America.
[Ti] Título:Progress towards a public chemogenomic set for protein kinases and a call for contributions.
[So] Source:PLoS One;12(8):e0181585, 2017.
[Is] ISSN:1932-6203
[Cp] País de publicação:United States
[La] Idioma:eng
[Ab] Resumo:Protein kinases are highly tractable targets for drug discovery. However, the biological function and therapeutic potential of the majority of the 500+ human protein kinases remains unknown. We have developed physical and virtual collections of small molecule inhibitors, which we call chemogenomic sets, that are designed to inhibit the catalytic function of almost half the human protein kinases. In this manuscript we share our progress towards generation of a comprehensive kinase chemogenomic set (KCGS), release kinome profiling data of a large inhibitor set (Published Kinase Inhibitor Set 2 (PKIS2)), and outline a process through which the community can openly collaborate to create a KCGS that probes the full complement of human protein kinases.
[Mh] Termos MeSH primário: Bases de Dados de Produtos Farmacêuticos
Inibidores de Proteínas Quinases/farmacologia
Bibliotecas de Moléculas Pequenas/farmacologia
[Mh] Termos MeSH secundário: Descoberta de Drogas/métodos
Genômica/métodos
Seres Humanos
Inibidores de Proteínas Quinases/química
Bibliotecas de Moléculas Pequenas/química
Relação Estrutura-Atividade
[Pt] Tipo de publicação:JOURNAL ARTICLE
[Nm] Nome de substância:
0 (Protein Kinase Inhibitors); 0 (Small Molecule Libraries)
[Em] Mês de entrada:1710
[Cu] Atualização por classe:171002
[Lr] Data última revisão:
171002
[Sb] Subgrupo de revista:IM
[Da] Data de entrada para processamento:170803
[St] Status:MEDLINE
[do] DOI:10.1371/journal.pone.0181585


  8 / 661 MEDLINE  
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[PMID]:28737911
[Au] Autor:González-Medina M; Medina-Franco JL
[Ad] Endereço:School of Chemistry, Department of Pharmacy, Universidad Nacional Autónoma de México , Avenida Universidad 3000, Mexico City 04510, Mexico.
[Ti] Título:Platform for Unified Molecular Analysis: PUMA.
[So] Source:J Chem Inf Model;57(8):1735-1740, 2017 Aug 28.
[Is] ISSN:1549-960X
[Cp] País de publicação:United States
[La] Idioma:eng
[Ab] Resumo:We introduce a free platform for chemoinformatic-based diversity analysis and visualization of chemical space of user supplied data sets. Platform for Unified Molecular Analysis (PUMA) integrates metrics used to characterize compound databases including visualization of chemical space, scaffold content, and analysis of chemical diversity. The user's input is a file with SMILES, database names, and compound IDs. PUMA computes molecular properties of pharmaceutical relevance, Murcko scaffolds, and diversity analysis. The user can interactively navigate through the graphs and export image files and the raw data of the diversity calculations. The platform links two public online resources: Consensus Diversity Plots for the assessment of global diversity and Activity Landscape Plotter to analyze structure-activity relationships. Herein, we describe the functionalities of PUMA and exemplify its use through the analysis of compound databases of general interest. PUMA is freely accessible at the authors web-site https://www.difacquim.com/d-tools/ .
[Mh] Termos MeSH primário: Bases de Dados de Produtos Farmacêuticos
Informática/métodos
Software
[Mh] Termos MeSH secundário: Gráficos por Computador
Internet
[Pt] Tipo de publicação:JOURNAL ARTICLE
[Em] Mês de entrada:1710
[Cu] Atualização por classe:171002
[Lr] Data última revisão:
171002
[Sb] Subgrupo de revista:IM
[Da] Data de entrada para processamento:170725
[St] Status:MEDLINE
[do] DOI:10.1021/acs.jcim.7b00253


  9 / 661 MEDLINE  
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[PMID]:28700469
[Au] Autor:Han Y; Jin X; Li H; Wang K; Gao J; Song L; Lv Y
[Ad] Endereço:aDepartment of Urology, China-Japan Union Hospital of Jilin University, Changchun, Jilin bDepartment of Urology, Zhuji People's Hospital, Zhuji, Zhejiang, China.
[Ti] Título:Microarray analysis of copy-number variations and gene expression profiles in prostate cancer.
[So] Source:Medicine (Baltimore);96(28):e7264, 2017 Jul.
[Is] ISSN:1536-5964
[Cp] País de publicação:United States
[La] Idioma:eng
[Ab] Resumo:BACKGROUND: This study aimed to identify potential prostate cancer (PC)-related variations in gene expression profiles. METHODS: Microarray data from the GSE21032 dataset that contained the whole-transcript and exon-level expression profile (GSE21034) and Agilent 244K array-comparative genomic hybridization data (GSE21035) were downloaded from the Gene Expression Omnibus database. Differentially expressed genes (DEGs) and copy-number variations (CNVs) were identified between PC and normal tissue samples. Coexpression interactions of DEGs that contained CNVs (CNV-DEGs) were analyzed. Pathway enrichment analysis of CNV-DEGs was performed. Drugs targeting CNV-DEGs were searched using the Drug-Gene Interaction database. RESULTS: In total, 679 DEGs were obtained, including 182 upregulated genes and 497 downregulated genes. A total of 48 amplified CNV regions and 45 deleted regions were determined. The number of CNVs at 8q and 8p was relatively higher in PC tissue. Only 16 DEGs, including 4 upregulated and 12 downregulated genes, showed a positive correlation with CNVs. In the coexpression network, 3 downregulated CNV-DEGs, including FAT4 (FAT atypical cadherin 4), PDE5A (phosphodiesterase 5A, cGMP-specific), and PCP4 (Purkinje cell protein 4), had a higher degree, and were enriched in specific pathways such as the calmodulin signaling pathway. Five of the 16 CNV-DEGs (e.g., PDE5A) were identified as drug targets. CONCLUSION: The identified CNV-DEGs could be implicated in the progression of human PC. The findings could lead to a better understanding of PC pathogenesis.
[Mh] Termos MeSH primário: Variações do Número de Cópias de DNA
Regulação Neoplásica da Expressão Gênica
Neoplasias da Próstata/genética
[Mh] Termos MeSH secundário: Antineoplásicos/farmacologia
Bases de Dados de Produtos Farmacêuticos
Conjuntos de Dados como Assunto
Progressão da Doença
Perfilação da Expressão Gênica
Seres Humanos
Masculino
Neoplasias da Próstata/tratamento farmacológico
[Pt] Tipo de publicação:JOURNAL ARTICLE
[Nm] Nome de substância:
0 (Antineoplastic Agents)
[Em] Mês de entrada:1707
[Cu] Atualização por classe:170730
[Lr] Data última revisão:
170730
[Sb] Subgrupo de revista:AIM; IM
[Da] Data de entrada para processamento:170713
[St] Status:MEDLINE
[do] DOI:10.1097/MD.0000000000007264


  10 / 661 MEDLINE  
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[PMID]:28700230
[Au] Autor:Radusky L; Ruiz-Carmona S; Modenutti C; Barril X; Turjanski AG; Martí MA
[Ad] Endereço:Departamento de Química Biológica, Facultad de Ciencias Exactas y Naturales, Universidad de Buenos Aires , 1053 Buenos Aires, Argentina.
[Ti] Título:LigQ: A Webserver to Select and Prepare Ligands for Virtual Screening.
[So] Source:J Chem Inf Model;57(8):1741-1746, 2017 Aug 28.
[Is] ISSN:1549-960X
[Cp] País de publicação:United States
[La] Idioma:eng
[Ab] Resumo:Virtual screening is a powerful methodology to search for new small molecule inhibitors against a desired molecular target. Usually, it involves evaluating thousands of compounds (derived from large databases) in order to select a set of potential binders that will be tested in the wet-lab. The number of tested compounds is directly proportional to the cost, and thus, the best possible set of ligands is the one with the highest number of true binders, for the smallest possible compound set size. Therefore, methods that are able to trim down large universal data sets enriching them in potential binders are highly appreciated. Here we present LigQ, a free webserver that is able to (i) determine best structure and ligand binding pocket for a desired protein, (ii) find known binders, as well as potential ligands known to bind to similar protein domains, (iii) most importantly, select a small set of commercial compounds enriched in potential binders, and (iv) prepare them for virtual screening. LigQ was tested with several proteins, showing an impressive capacity to retrieve true ligands from large data sets, achieving enrichment factors of over 10%. LigQ is available at http://ligq.qb.fcen.uba.ar/ .
[Mh] Termos MeSH primário: Avaliação Pré-Clínica de Medicamentos/métodos
Internet
Proteínas/metabolismo
Software
[Mh] Termos MeSH secundário: Sítios de Ligação
Bases de Dados de Produtos Farmacêuticos
Ligantes
Ligação Proteica
Proteínas/química
Interface Usuário-Computador
[Pt] Tipo de publicação:JOURNAL ARTICLE
[Nm] Nome de substância:
0 (Ligands); 0 (Proteins)
[Em] Mês de entrada:1710
[Cu] Atualização por classe:171002
[Lr] Data última revisão:
171002
[Sb] Subgrupo de revista:IM
[Da] Data de entrada para processamento:170713
[St] Status:MEDLINE
[do] DOI:10.1021/acs.jcim.7b00241



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