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1.
Pharmaceutics ; 13(6)2021 May 26.
Artigo em Inglês | MEDLINE | ID: mdl-34073456

RESUMO

Link prediction in artificial intelligence is used to identify missing links or derive future relationships that can occur in complex networks. A link prediction model was developed using the complex heterogeneous biomedical knowledge graph, SemNet, to predict missing links in biomedical literature for drug discovery. A web application visualized knowledge graph embeddings and link prediction results using TransE, CompleX, and RotatE based methods. The link prediction model achieved up to 0.44 hits@10 on the entity prediction tasks. The recent outbreak of severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2), also known as COVID-19, served as a case study to demonstrate the efficacy of link prediction modeling for drug discovery. The link prediction algorithm guided identification and ranking of repurposed drug candidates for SARS-CoV-2 primarily by text mining biomedical literature from previous coronaviruses, including SARS and middle east respiratory syndrome (MERS). Repurposed drugs included potential primary SARS-CoV-2 treatment, adjunctive therapies, or therapeutics to treat side effects. The link prediction accuracy for nodes ranked highly for SARS coronavirus was 0.875 as calculated by human in the loop validation on existing COVID-19 specific data sets. Drug classes predicted as highly ranked include anti-inflammatory, nucleoside analogs, protease inhibitors, antimalarials, envelope proteins, and glycoproteins. Examples of highly ranked predicted links to SARS-CoV-2: human leukocyte interferon, recombinant interferon-gamma, cyclosporine, antiviral therapy, zidovudine, chloroquine, vaccination, methotrexate, artemisinin, alkaloids, glycyrrhizic acid, quinine, flavonoids, amprenavir, suramin, complement system proteins, fluoroquinolones, bone marrow transplantation, albuterol, ciprofloxacin, quinolone antibacterial agents, and hydroxymethylglutaryl-CoA reductase inhibitors. Approximately 40% of identified drugs were not previously connected to SARS, such as edetic acid or biotin. In summary, link prediction can effectively suggest repurposed drugs for emergent diseases.

2.
J Mammal ; 101(5): 1313-1331, 2020 Oct 05.
Artigo em Inglês | MEDLINE | ID: mdl-33343263

RESUMO

Temporal niche shifts can shape predator-prey interactions by enabling predator avoidance, enhancing feeding success, and reducing competition among predators. Using a community-based conservation approach, we investigated temporal niche partitioning of mammalian predators and prey across 12 long-term camera trap surveys in the Pacific slope and Talamanca Cordillera of Costa Rica. Temporal overlap and segregation were investigated between predator-prey and predator-predator pairs using overlap analysis, circular statistics, and relative abundance after accounting for differences in habitat, season, and human impact among sites. We made the assumption that predators select abundant prey and adjust their activity to maximize their temporal overlap, thus we predicted that abundant prey with high overlap would be preferred prey species for that predator. We also predicted that similar-sized pairs of predator species with the greatest potential for competitive interactions would have the highest temporal segregation. Our results supported the existence of temporal niche separation among the eight species of predators-the smaller Leopardus felids (ocelot, margay, oncilla) were primarily nocturnal, the largest felids (jaguar and puma) and coyote were cathemeral, and the smaller jaguarundi and tayra were mostly diurnal. Most prey species (67%) were primarily nocturnal versus diurnal or cathemeral (33%). Hierarchical clustering identified relationships among species with the most similar activity patterns. We discuss the primary prey and competitor species predicted for each of the eight predators. Contrary to our prediction, the activity pattern of similar-sized intraguild competitors overlapped more than dissimilar-sized competitors, suggesting that similar-sized predators are hunting the same prey at the same time. From this we conclude that prey availability is more important than competition in determining circadian activity patterns of Neotropical predators. Our results indicate the presence of a delicate balance of tropical food webs that may be disrupted by overhunting, leading to a depauperate community consisting of ubiquitous generalists and endangered specialists. With Central America a hotspot for hunting-induced "empty forests," community-based conservation approaches may offer the best road to reduce illegal hunting and maintain the biodiversity and community structure of tropical forest systems.


Los cambios temporales de nicho pueden amoldar las interacciones predador-presa al permitir a la presa evadir los predadores, mejorar la eficacia de la alimentación y reducir la competición entre predadores. Mediante muestreos con cámaras trampa en 12 sitios de la pendiente del Pacífico y la Cordillera de Talamanca de Costa Rica, investigamos la división temporal de los nichos de mamíferos predadores y presas usando un enfoque de conservación basado en la comunidad. Investigamos la superposición y segregación temporal entre pares predador-presa y predador-predador utilizando análisis de superposición, estadísticas circulares y abundancia relativa, teniendo en cuenta diferencias de hábitat, estacionales y de impacto humano entre los sitios. Asumimos que los predadores seleccionan presas abundantes y ajustan su actividad para maximizar su superposición temporal con éstas; por lo tanto, predijimos que una presa abundante con alta superposición sería una especie de presa preferida para ese predador. También predijimos que pares de especies de predadores de tamaño similar con el mayor potencial para interacciones competitivas tendrían la mayor segregación temporal. Nuestros resultados respaldaron la existencia de una separación temporal de nicho entre las ocho especies de predadores­determinamos que los felinos más pequeños del género Leopardus (manigordo, caucel, tigrillo) son principalmente nocturnos, los felinos más grandes (jaguar y puma) y el coyote son catemerales, y los jaguarundi y tayra más pequeños son principalmente diurnos. La mayoría de las especies de presas (67%) son principalmente nocturnas versus diurnas o catemerales (33%). Mediante análisis de agrupación jerárquica, identificamos relaciones entre especies con los patrones de actividad más similares. Para cada uno de los predadores discutimos las presas primarias predichas y las especies competidoras. Contrario a nuestra predicción, el patrón de actividad de los predadores intragremios de tamaño similar se superpone más que el de los competidores de distinto tamaño, lo que indica que los predadores de tamaño similar están cazando la misma presa y están activos al mismo tiempo. De esto concluimos que la disponibilidad de presas es más importante que la competición en cuanto a determinar los patrones de actividad circadiana de los predadores neotropicales. Nuestros resultados revelan que el delicado equilibrio de las redes tróficas tropicales puede ser interferido por la caza excesiva, lo que lleva a una comunidad depauperada compuesta por generalistas ubicuos y especialistas en peligro de extinción. Con América Central como un centro de "bosques vacíos" inducidos por la caza, los enfoques de conservación basados en la comunidad pueden ofrecer el mejor camino para reducir la caza ilegal, y mantener la biodiversidad y estructura ecológica comunitaria de los sistemas forestales tropicales.

3.
Artigo em Inglês | MEDLINE | ID: mdl-32628372

RESUMO

Stress-induced changes in pharmacokinetics can significantly alter the plasma levels of some drugs such as clozapine. This report describes the case of a middle-aged man with schizoaffective disorder, bipolar type who showed sustained elevation in clozapine levels 3 days after discontinuation. Before the clozapine levels were drawn, he had developed acute bacterial pneumonia and signs of acute bacterial meningitis followed by neuroleptic malignant syndrome after he received multiple doses of intravenous haloperidol for worsening psychosis and aggressive behavior. Existing literature on this topic is also reviewed to investigate potential reasons for sustained clozapine levels during acute inflammatory stress and neuroleptic malignant syndrome.


Assuntos
Antipsicóticos/sangue , Clozapina/sangue , Meningites Bacterianas/etiologia , Síndrome Maligna Neuroléptica/etiologia , Pneumonia Bacteriana/etiologia , Transtornos Psicóticos/tratamento farmacológico , Doença Aguda , Humanos , Masculino , Pessoa de Meia-Idade
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