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https://www.readbyqxmd.com/read/29234892/how-accurate-is-the-description-of-ligand-protein-interactions-by-a-hybrid-qm-mm-approach
#1
Jakub Kollar, Vladimir Frecer
During the last decades, the application of hybrid quantum mechanical/molecular mechanical (QM/MM) methods has been extended to the field of drug design. In principle, the approximate QM/MM approach offers a more complete description of drug-receptor non-covalent interactions. This is especially true when charge or proton transfer, chelation of metal ions or strong polarization of ligand and protein or surface chemical groups are involved. The aim of this work was to assess the accuracy of calculated non-covalent ligand-protein interaction energies ([Formula: see text]) obtained by the hybrid QM/MM approach employed in QSite/Jaguar of Schrödinger's Small-Molecule Drug Discovery Suite on a set of small-molecule model systems when compared to rigorous QM calculations...
December 12, 2017: Journal of Molecular Modeling
https://www.readbyqxmd.com/read/29076550/evaluation-of-reproductive-performance-and-genetic-variation-in-bulls-of-the-polish-white-backed-breed
#2
W Sawicka-Zugaj, W Chabuz, Z Litwińczuk, K Kasprzak-Filipek
The aim of the study was to evaluate genetic variation, reproductive performance and the degree of relationship of White-Backed bulls entered in the breed registry and approved for breeding. The study included 32 bulls of the White-Backed (WB) breed with an entry in the breed registry and used for breeding in the years 2003-2015. Eleven microsatellite DNA sequences (TGLA222, BM2113, TGLA53, ETH10, SPS115, TGLA126, TGLA122, INRA23, ETH3, ETH225 and BM1824) were used to analyse variation in the WB bulls. The bulls most often used for breeding were Chilon (1,073 doses), Mak (939 doses) and Jaguar (858 doses)...
October 27, 2017: Reproduction in Domestic Animals, Zuchthygiene
https://www.readbyqxmd.com/read/28902958/nonregenerative-immune-mediated-anemia-associated-with-a-diffuse-large-b-cell-lymphoma-in-a-captive-jaguar-panthera-onca
#3
Monika A Keresztes, Manfred Henrich, Penelope Baloi, Sascha Gerst, Jens-Christian Rudnick, Judith Langenstein, Andreas Moritz, Natali Bauer
An 18-year-old male castrated jaguar (Panthera onca) was presented with anorexia and continuous bleeding from the oral cavity after a history of fighting with the partner animal. Clinical evaluation revealed ulcerating lesions on the gingiva and hard palate and a hematoma on the tongue. Computed tomography of the head and endoscopic examination of the esophagus and stomach were unremarkable. Hematology and clinical chemistry revealed severe nonregenerative anemia, mild thrombocytopenia, and moderate azotemia...
September 13, 2017: Veterinary Clinical Pathology
https://www.readbyqxmd.com/read/28880947/comparing-hair-morphology-and-molecular-methods-to-identify-fecal-samples-from-neotropical-felids
#4
COMPARATIVE STUDY
Carlos C Alberts, Bruno H Saranholi, Fernando Frei, Pedro M Galetti
To avoid certain problems encountered with more-traditional and invasive methods in behavioral-ecology studies of mammalian predators, such as felids, molecular approaches have been employed to identify feces found in the field. However, this method requires a complete molecular biology laboratory, and usually also requires very fresh fecal samples to avoid DNA degradation. Both conditions are normally absent in the field. To address these difficulties, identification based on morphological characters (length, color, banding, scales and medullar patterns) of hairs found in feces could be employed as an alternative...
2017: PloS One
https://www.readbyqxmd.com/read/28854258/temporal-variation-in-black-caiman-nest-predation-in-varzea-of-central-brazilian-amazonia
#5
Kelly Torralvo, Robinson Botero-Arias, William E Magnusson
On the Amazon floodplain, the main predators of black caiman (Melanosuchus niger) eggs are jaguars (Panthera onca), tegu lizards (Tupinambis teguixim), capuchin monkeys (Sapajus macrocephalus) and humans (Homo sapiens). In this study, we investigated the relationship between predator attacks on nests and incubation period, and evaluated the influence of initial predation on subsequent predation in the Mamirauá Sustainable Development Reserve. We also evaluated the influence of presence of females near the nests and manipulation of nests on the occurrence of attacks...
2017: PloS One
https://www.readbyqxmd.com/read/28841692/using-niche-modelling-and-species-specific-cost-analyses-to-determine-a-multispecies-corridor-in-a-fragmented-landscape
#6
Karen E DeMatteo, Miguel A Rinas, Juan Pablo Zurano, Nicole Selleski, Rosio G Schneider, Carina F Argüelles
Misiones, Argentina, contains the largest remaining tract of Upper Paraná Atlantic Forest ecoregion; however, ~50% of native forest is unprotected and located in a mosaic of plantations, agriculture, and pastures. Existing protected areas are becoming increasingly isolated due to ongoing habitat modification. These factors, combined with lower than expected regional carnivore densities, emphasize the need to understand the effect of fragmentation on animal movement and connectivity between protected areas...
2017: PloS One
https://www.readbyqxmd.com/read/28832728/mercury-content-in-the-fur-of-jaguars-panthera-onca-from-two-areas-under-different-levels-of-gold-mining-impact-in-the-brazilian-pantanal
#7
Joares A May, Howard Quigley, Rafael Hoogesteijn, Fernando R Tortato, Allison Devlin, Rui M DE Carvalho, Ronaldo G Morato, Leonardo R Sartorello, Lilian E Rampim, Mario Haberfeld, Rogério C DE Paula, Jairo José Zocche
The Pantanal is the largest inland wetland in the world and is under increasing anthropogenic threats, including long-term regionally intensive gold mining practices. Gold mining activities are known to cause the release of harmful pollutants such as mercury (Hg) to the surrounding environment. Jaguars (Panthera onca (Linnaeus, 1758)) are apex predators, and therefore show great potential to accumulate Hg by biomagnification. We hypothesize that total Hg content in the fur of jaguars from two sites within the Brazilian Pantanal would be significantly different as a function of distance from active gold mining operations...
August 17, 2017: Anais da Academia Brasileira de Ciências
https://www.readbyqxmd.com/read/28776029/genome-wide-signatures-of-complex-introgression-and-adaptive-evolution-in-the-big-cats
#8
Henrique V Figueiró, Gang Li, Fernanda J Trindade, Juliana Assis, Fabiano Pais, Gabriel Fernandes, Sarah H D Santos, Graham M Hughes, Aleksey Komissarov, Agostinho Antunes, Cristine S Trinca, Maíra R Rodrigues, Tyler Linderoth, Ke Bi, Leandro Silveira, Fernando C C Azevedo, Daniel Kantek, Emiliano Ramalho, Ricardo A Brassaloti, Priscilla M S Villela, Adauto L V Nunes, Rodrigo H F Teixeira, Ronaldo G Morato, Damian Loska, Patricia Saragüeta, Toni Gabaldón, Emma C Teeling, Stephen J O'Brien, Rasmus Nielsen, Luiz L Coutinho, Guilherme Oliveira, William J Murphy, Eduardo Eizirik
The great cats of the genus Panthera comprise a recent radiation whose evolutionary history is poorly understood. Their rapid diversification poses challenges to resolving their phylogeny while offering opportunities to investigate the historical dynamics of adaptive divergence. We report the sequence, de novo assembly, and annotation of the jaguar (Panthera onca) genome, a novel genome sequence for the leopard (Panthera pardus), and comparative analyses encompassing all living Panthera species. Demographic reconstructions indicated that all of these species have experienced variable episodes of population decline during the Pleistocene, ultimately leading to small effective sizes in present-day genomes...
July 2017: Science Advances
https://www.readbyqxmd.com/read/28690147/novel-anaplasma-and-ehrlichia-organisms-infecting-the-wildlife-of-two-regions-of-the-brazilian-amazon
#9
Herbert S Soares, Arlei Marcili, Amália R M Barbieri, Antonio H H Minervino, Antonio F Malheiros, Solange M Gennari, Marcelo B Labruna
During 2009-2012, wild animals were sampled in the Amazon biome of Brazil. Animal tissues and blood were tested by polymerase chain reaction (PCR) assays targeting DNA of the bacterial family Anaplasmataceae (genera Anaplasma, Ehrlichia, Wolbachia) and the genus Borrelia. Overall, 181 wild animals comprising 36 different species (2 reptiles, 5 birds, and 29 mammals) were sampled. All birds and reptiles were negative by all PCR assays, as well as all mammals for the Borrelia PCR assay. Anaplasmataceae agents were searched by PCR assays targeting two different genes, the ribosomal 16S rRNA gene and the protein-coding dsb gene...
July 6, 2017: Acta Tropica
https://www.readbyqxmd.com/read/28677421/molecular-detection-of-viral-agents-in-free-ranging-and-captive-neotropical-felids-in-brazil
#10
Mariana Malzoni Furtado, Sueli Akemi Taniwaki, Iracema Nunes de Barros, Paulo Eduardo Brandão, José Luiz Catão-Dias, Sandra Cavalcanti, Laury Cullen, Claudia Filoni, Anah Tereza de Almeida Jácomo, Rodrigo Silva Pinto Jorge, Nairléia Dos Santos Silva, Leandro Silveira, José Soares Ferreira Neto
We describe molecular testing for felid alphaherpesvirus 1 (FHV-1), carnivore protoparvovirus 1 (CPPV-1), feline calicivirus (FCV), alphacoronavirus 1 (feline coronavirus [FCoV]), feline leukemia virus (FeLV), feline immunodeficiency virus (FIV), and canine distemper virus (CDV) in whole blood samples of 109 free-ranging and 68 captive neotropical felids from Brazil. Samples from 2 jaguars ( Panthera onca) and 1 oncilla ( Leopardus tigrinus) were positive for FHV-1; 2 jaguars, 1 puma ( Puma concolor), and 1 jaguarundi ( Herpairulus yagouaroundi) tested positive for CPPV-1; and 1 puma was positive for FIV...
July 1, 2017: Journal of Veterinary Diagnostic Investigation
https://www.readbyqxmd.com/read/28658274/long-term-monitoring-of-jaguars-in-the-cockscomb-basin-wildlife-sanctuary-belize-implications-for-camera-trap-studies-of-carnivores
#11
Bart J Harmsen, Rebecca J Foster, Emma Sanchez, Carmina E Gutierrez-González, Scott C Silver, Linde E T Ostro, Marcella J Kelly, Elma Kay, Howard Quigley
In this study, we estimate life history parameters and abundance for a protected jaguar population using camera-trap data from a 14-year monitoring program (2002-2015) in Belize, Central America. We investigated the dynamics of this jaguar population using 3,075 detection events of 105 individual adult jaguars. Using robust design open population models, we estimated apparent survival and temporary emigration and investigated individual heterogeneity in detection rates across years. Survival probability was high and constant among the years for both sexes (φ = 0...
2017: PloS One
https://www.readbyqxmd.com/read/28536686/mandible-metastasis-of-small-cell-lung-cancer-mimicking-a-residual-cyst
#12
Renata Mendonça Moraes, Fabio Abreu Alves, Bruna Fernandes do Carmo Carvalho, Felipe D'Almeida Costa, Rodrigo Nascimento Lopes, Graziella Chagas Jaguar
Small cell lung carcinoma (SCLC) is an uncommon tumor characterized by an aggressive behavior with early metastasis, usually to the contralateral lung, liver, brain, and bones. There are only five cases of this particular tumor metastasizing to the oral cavity described in the English literature. We present the case of metastatic SCLC in the mandible with radiographic findings resembling a residual cyst. A 66-year-old man with previous diagnosis and treatment for a SCLC was referred to the Stomatology Department with a history of persistent pain in the mandible 1 year after the inferior right pre-molar tooth extraction...
January 2017: Autopsy & Case Reports
https://www.readbyqxmd.com/read/28512727/variability-of-high-dose-melphalan-exposure-on-oral-mucositis-in-patients-undergoing-prophylactic-low-level-laser-therapy
#13
Gustavo Henrique Rodrigues, Graziella Chagas Jaguar, Fabio Abreu Alves, Andre Guollo, Vanessa Oliveira Camandoni, Aline Santos Damascena, Vladmir Claudio Cordeiro Lima
The present study outlines the clinical impact and risk factors of oral mucositis in 79 patients with multiple myeloma following high-dose melphalan for autologous transplant. All patients underwent daily prophylactic low-level indium gallium aluminum phosphate diode laser therapy (660 nm, 15 mW, 3.75 J/cm(2), 10 s per point) from the beginning of the conditioning regimen up to day +2. Oral mucositis assessments were made daily until hospital discharge. For analysis, oral mucositis was divided into two groups according to severity: group 1, patients with oral mucositis grade <III (n = 71) and group 2, patients with oral mucositis grade ≥III (n = 8)...
July 2017: Lasers in Medical Science
https://www.readbyqxmd.com/read/28435029/activity-of-carboxylesterases-glutathione-s-transferase-and-monooxygenase-on-rhipicephalus-microplus-exposed-to-fluazuron
#14
Fabrício Nascimento Gaudêncio, Guilherme Marcondes Klafke, Vinícius Menezes Tunholi-Alves, Thaís Paes Ferreira, Cristiane Nunes Coelho, Adivaldo Henrique da Fonseca, Isabele da Costa Angelo, Jairo Pinheiro
The objective of this study was to assess the effect of the exposure to fluazuron on the activity of common pesticide detoxification enzyme groups in the cattle tick (Rhipicephalus microplus). Engorged females of a susceptible strain (POA) and a resistant strain (Jaguar) were exposed in vitro to fluazuron and their eggs and larvae were used to compare the activities of the general esterases, mixed-function oxidases (MFO) and glutathione-S-transferase (GST). The results showed significant elevation in MFO contents and esterases activity in the resistant strain when compared with the susceptible strain, in eggs and larvae respectively...
April 20, 2017: Parasitology International
https://www.readbyqxmd.com/read/28207298/hepatozoon-spp-infect-free-ranging-jaguars-panthera-onca-in-brazil
#15
Mariana Malzoni Furtado, Betina Metzger, Anah Tereza de Almeida Jácomo, Marcelo Bahia Labruna, Thiago Fernandes Martins, Lucia Helena O'Dwyer, Karina Dos Santos Paduan, Grasiela E O Porfírio, Leandro Silveira, Rahel Sollmann, Sueli Akemi Taniwaki, Natália Mundim Tôrres, José Soares Ferreira Neto
This study investigated the presence of Hepatozoon spp. in jaguars ( Panthera onca ) and domestic animals in the Cerrado, Amazon, and Pantanal biomes of Brazil. Between February 2000 and January 2010, blood samples were collected from 30 jaguars, 129 domestic dogs ( Canis lupus familiaris), and 22 domestic cats ( Felis catus ) for molecular tests. All of the jaguars from the Pantanal (n = 22) and Cerrado (n = 4) and 3 of 4 jaguars from the Amazon were positive for Hepatozoon spp. Domestic dogs (62.8%) and cats (31...
June 2017: Journal of Parasitology
https://www.readbyqxmd.com/read/28196774/is-the-free-ranging-jaguar-panthera-onca-a-reservoir-for-cytauxzoon-felis-in-brazil
#16
Mariana Malzoni Furtado, Sueli Akemi Taniwaki, Betina Metzger, Karina Dos Santos Paduan, Helena Lucia O'Dwyer, Anah Tereza de Almeida Jácomo, Grasiela E O Porfírio, Leandro Silveira, Rahel Sollmann, Natália Mundim Tôrres, José Soares Ferreira Neto
This study investigated the occurrence of Cytauxzoon felis and Babesia spp. in free-ranging jaguars (Panthera onca), domestic dogs (Canis lupus familiaris) and domestic cats (Felis catus) from the Cerrado, Amazon and Pantanal biomes of Brazil. Blood samples were collected from 30 jaguars, 129 dogs and 22 cats for detection of the 18S rRNA genes of piroplasmids. All of the jaguars from the Pantanal (n=22) and Cerrado (n=4) and three of four jaguars from the Amazon were positive for C. felis, but no dogs or cats were positive for the agent...
February 6, 2017: Ticks and Tick-borne Diseases
https://www.readbyqxmd.com/read/28188582/attitudes-toward-jaguars-and-pumas-and-the-acceptability-of-killing-big-cats-in-the-brazilian-atlantic-forest-an-application-of-the-potential-for-conflict-index2
#17
Monica T Engel, Jerry J Vaske, Alistair J Bath, Silvio Marchini
We explored the overall acceptability of killing jaguars and pumas in different scenarios of people-big cat interactions, the influence of attitudes toward big cats on acceptability, and the level of consensus on the responses. Data were obtained from 326 self-administered questionnaires in areas adjacent to Intervales State Park and Alto Ribeira State Park. Overall, people held slightly positive attitudes toward jaguars and pumas and viewed the killing of big cats as unacceptable. However, individuals that held negative attitudes were more accepting of killing...
September 2017: Ambio
https://www.readbyqxmd.com/read/28133569/jaguar-interactions-with-pumas-and-prey-at-the-northern-edge-of-jaguars-range
#18
Carmina E Gutiérrez-González, Carlos A López-González
We present the first study that evaluates jaguar-puma interactions in the arid lands of northern Mexico, where jaguars have their northernmost breeding population and both predators are persecuted for livestock depredation. We tested whether jaguars are the dominant species in this unique ecosystem, where: (1) pumas outnumber jaguars, (2) pumas are better adapted to arid environments, and (3) jaguars and pumas are of similar size. We analyzed four years of data with two approaches; a two species conditional occupancy model and an activity patterns analysis...
2017: PeerJ
https://www.readbyqxmd.com/read/28043351/reproductive-analysis-of-male-and-female-captive-jaguars-panthera-onca-in-a-colombian-zoological-park
#19
Santiago Jimenez Gonzalez, Jo Gayle Howard, Janine Brown, Henry Grajales, Jorge Pinzón, Haydy Monsalve, María Angélica Moreno, Claudia Jimenez Escobar
A reproductive analysis of a captive group of jaguars (Panthera onca; n = 6) at the Santacruz Zoological Foundation in Cundinamarca, Colombia, was conducted by performing a longitudinal, noninvasive, hormonal analysis of estradiol and progestogens in females and of androgens in males. During four seasons, female jaguars confined in solitary were evaluated for ovarian activity and spontaneous ovulation, male jaguars for testicular activity. A second hormonal follow-up was conducted in the females after administration of gonadotropins...
February 2017: Theriogenology
https://www.readbyqxmd.com/read/28030568/space-use-and-movement-of-a-neotropical-top-predator-the-endangered-jaguar
#20
Ronaldo G Morato, Jared A Stabach, Chris H Fleming, Justin M Calabrese, Rogério C De Paula, Kátia M P M Ferraz, Daniel L Z Kantek, Selma S Miyazaki, Thadeu D C Pereira, Gediendson R Araujo, Agustin Paviolo, Carlos De Angelo, Mario S Di Bitetti, Paula Cruz, Fernando Lima, Laury Cullen, Denis A Sana, Emiliano E Ramalho, Marina M Carvalho, Fábio H S Soares, Barbara Zimbres, Marina X Silva, Marcela D F Moraes, Alexandre Vogliotti, Joares A May, Mario Haberfeld, Lilian Rampim, Leonardo Sartorello, Milton C Ribeiro, Peter Leimgruber
Accurately estimating home range and understanding movement behavior can provide important information on ecological processes. Advances in data collection and analysis have improved our ability to estimate home range and movement parameters, both of which have the potential to impact species conservation. Fitting continuous-time movement model to data and incorporating the autocorrelated kernel density estimator (AKDE), we investigated range residency of forty-four jaguars fit with GPS collars across five biomes in Brazil and Argentina...
2016: PloS One
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