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Marcelo Magioli Katia Maria Paschoaletto Micchi de Barros Ferraz Eleonore Zulnara Freire Setz Alexandre Reis Percequillo Michelle Viviane de Sá Santos Rondon Vanessa Villanova Kuhnen Mariana Cristina da Silva Canhoto Karen Evelyn Almeida dos Santos Claudia Zukeran Kanda Gabriela de Lima Fregonezi Helena Alves do Prado Mitra Katherina Ferreira Milton Cezar Ribeiro Priscilla Marqui Schmidt Villela Luiz Lehmann Coutinho Márcia Gonçalves Rodrigues 《European Journal of Wildlife Research》2016,62(4):431-446
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Rafael Conceição de Souza Gabriela de Medeiros Muniz Andrei Santos Siqueira Adonis de Melo Lima Alessandra Pereira da Silva Evonnildo Costa Gonçalves João Lídio da Silva Gonçalves Vianez Júnior 《Journal of molecular modeling》2016,22(11):269
Human immunodeficiency virus (HIV) infections continue to exert an enormous impact on global human health. This led experts to emphasize the importance of new measures for preventing HIV infections, including the development of vaccines and novel drugs. In this context, a promising approach involves the use of lectins that can bind the surface envelope glycoprotein gp120 of HIV with high affinity, preventing viral entry. The cyanobacterial lectin microvirin (MVN) has been proposed as a candidate for development as a topical microbicide because of its ability to bind to high mannose-type glycans, potently inhibiting HIV-1 entry. Thus, the aim of this computational study was to investigate the effects of four point mutations (D53Q, D53E, D53K, and D53W) on the structure and affinity of MVN with di-mannose (MAN). Molecular dynamics simulations followed by binding free energy calculations using MM-GBSA were employed. The calculated binding free energy of ligand-receptor complexation of MVN with MAN was ?26.02 kcal mol-1. We identified in the wild-type protein that residues I45, T59, and Q81 have a major contribution to the binding free energy of di-mannose. Among the investigated mutants, the most promising one was the D53W mutation, with a theoretical binding free energy value of ?29.16 kcal mol-1. We suggest that this increased stability is due to the introduction of extra rigidity on the hinge region connecting two key structural elements of the MVN binding site. 相似文献
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Isabela G. Domiciano Camila Domit Matt K. Broadhurst Mariana S. Koch Ana Paula F. R. L. Bracarense 《PloS one》2016,11(2)
Cetaceans are considered environmental sentinels and their health often reflects either anthropogenic or natural spatio-temporal disturbances. This study investigated the pathological findings and mortality of small cetaceans with the aim of detecting hazards and monitoring health trends in a high-biodiversity area. Between 2007 and 2012, 218 stranded cetaceans were recorded on the Paraná coast, southern Brazil. Fifty-seven (26.1%) of these animals, including 50 Sotalia guianensis, 2 Pontoporia blainvillei, 2 Stenella frontalis, 1 Stenella longirostris, 1 Tursiops truncatus and 1 Globicephala melas were necropsied and samples were collected for histopathology. Causes of death were determined in 46 of the 57 (80.7%) animals and most (30 or 65.2%) were ascribed to anthropogenic activities, including fisheries bycatch (28/30) and trauma (2/30). The remaining 16 fatalities were considered natural, and attributed to pneumonia (10/16), emaciation (3/16), septicemia (1/16), neonatal pathology (1/16) and choking via food obstruction (1/16). Irrespective of the cause, bronchointerstitial pneumonia, associated with parasitism, lymphadenitis and membranous glomerulonephritis were common findings among all fatalities. These results suggest, that while anthropogenic activities are a leading cause of cetacean strandings in Paraná, underlying pre-existing diseases may contribute towards deaths. Although the studied area is considered a biosphere reserve by UNESCO, complex anthropogenic and natural interactions might be occurring, increasing cetacean susceptibility to hazards. This study may help facilitate developing an effective conservation plan for coastal cetaceans focusing on reducing fisheries interactions, habitat degradation and pollution as mechanisms for ultimately increasing species resilience. 相似文献
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Lívia Tavares Colombo Marcelo Nagem Valério de Oliveira Deisy Guimarães Carneiro Robson Assis de Souza Mariana Caroline Tocantins Alvim Josenilda Carlos dos Santos Cynthia Canêdo da Silva Pedro Marcus Pereira Vidigal Wendel Batista da Silveira Flávia Maria Lopes Passos 《Antonie van Leeuwenhoek》2016,109(9):1217-1233
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