José Gomes Pereira

Molecular interactions that modulate catalytic processes occur mainly in cavities throughout the molecular surface. Such interactions occur with specific small molecules due to geometric and physicochemical complementarity with the receptor. In this scenario, we present KVFinder-web, an open-source web-based application of parKVFinder software for cavity detection and characterization of biomolecular structures. The KVFinder-web has two independent components: a RESTful web service and a web graphical portal. Our web service, KVFinder-web service, handles client requests, manages accepted jobs, and performs cavity detection and characterization on accepted jobs. Our graphical web portal, KVFinder-web portal, provides a simple and straightforward page for cavity analysis, which customizes detection parameters, submits jobs to the web service component, and displays cavities and characterizations. We provide a publicly available KVFinder-web at https://kvfinder-web.cnpem.br, running in a cloud environment as docker containers. Further, this deployment type allows KVFinder-web components to be configured locally and customized according to user demand. Hence, users may run jobs on a locally configured service or our public KVFinder-web.

A prova de esforço cardiorrespiratória (PECR) fornece uma avaliação não invasiva e integrada das respostas ao exercício dos sistemas respiratório, cardiovascular e músculo-esquelético. Essas informações melhoram o diagnóstico, a estratificação de risco e a abordagem terapêutica de diversas condições clínicas. Além disso, a PECR é o teste gold standard para a quantificação da aptidão cardiorrespiratória e a prescrição de exercício, tanto em doentes com doença cardiopulmonar em programas de reabilitação cardíaca ou pulmonar, como em indivíduos saudáveis, incluindo atletas de alto rendimento. Neste contexto, o conhecimento prático da relevância deste exame é útil e transversal a diversas especialidades médicas para além da cardiologia. No entanto, apesar das suas múltiplas vantagens reconhecidas, a PECR continua subutilizada. Este artigo tem como objetivo aumentar a consciencialização do valor da PECR para a prática clínica e informar os médicos sobre as suas principais indicações, aplicações e interpretação básica. Cardiopulmonary exercise testing (CPET) provides a noninvasive and integrated assessment of the response of the respiratory, cardiovascular, and musculoskeletal systems to exercise. This information improves the diagnosis, risk stratification, and therapeutic management of several clinical conditions. Additionally, CPET is the gold standard test for cardiorespiratory fitness quantification and exercise prescription, both in patients with cardiopulmonary disease undergoing cardiac or pulmonary rehabilitation programs and in healthy individuals, such as high-level athletes. In this setting, the relevance of practical knowledge about this exam is useful and relevant to several medical specialties other than cardiology. However, despite its multiple established advantages, CPET remains underused. This article aims to increase awareness of the value of CPET in clinical practice and to inform clinicians about its main indications, applications, and basic interpretation.

The frequency of antibodies to Neospora caninum (Protozoa: Apicomplexa) in dog sera was investigated. Blood samples from 100 mongrel dogs, captured in the streets of São Luís, State of Maranhão, were analized using imunofluorescent antibody test. Forty five percent of the dogs were positive, and the titers ranged from 1:50 to 1:800. No sex difference was observed for frequency of N. caninum (60% in males and 40% in females). This is the first report of antibodies to N. caninum in dogs from Maranhão.