Search results for "Database"
showing 10 items of 2136 documents
Ligand-based discovery of novel trypanosomicidal drug-like compounds: In silico identification and experimental support
2010
Abstract Two-dimensional bond-based linear indices and linear discriminant analysis are used in this report to perform a quantitative structure–activity relationship study to identify new trypanosomicidal compounds. A database with 143 anti-trypanosomal and 297 compounds having other clinical uses, are utilized to develop the theoretical models. The best discriminant models computed using bond-based linear indices provides accuracies greater than 90 for both training and test sets. Our models identify as anti-trypanosomals five out of nine compounds of a set of already-synthesized substances. The in vitro anti-trypanosomal activity of this set against epimastigote forms of Trypanosoma cruzi…
Coincident glutamatergic depolarizations enhance GABAA receptor-dependent Cl- influx in mature and suppress Cl- efflux in immature neurons.
2021
The impact of GABAergic transmission on neuronal excitability depends on the Cl--gradient across membranes. However, the Cl--fluxes through GABAA receptors alter the intracellular Cl- concentration ([Cl-]i) and in turn attenuate GABAergic responses, a process termed ionic plasticity. Recently it has been shown that coincident glutamatergic inputs significantly affect ionic plasticity. Yet how the [Cl-]i changes depend on the properties of glutamatergic inputs and their spatiotemporal relation to GABAergic stimuli is unknown. To investigate this issue, we used compartmental biophysical models of Cl- dynamics simulating either a simple ball-and-stick topology or a reconstructed CA3 neuron. Th…
Principal component analysis on molecular descriptors as an alternative point of view in the search of new Hsp90 inhibitors
2009
Inhibiting a protein that regulates multiple signal transduction pathways in cancer cells is an attractive goal for cancer therapy. Heat shock protein 90 (Hsp90) is one of the most promising molecular targets for such an approach. In fact, Hsp90 is a ubiquitous molecular chaperone protein that is involved in folding, activating and assembling of many key mediators of signal transduction, cellular growth, differentiation, stress-response and apoptothic pathways. With the aim to analyze which molecular descriptors have the higher importance in the binding interactions of these classes, we first performed molecular docking experiments on the 187 Hsp90 inhibitors included in the BindingDB, a pu…
Nursing interventions of choice for the prevention and treatment of suicidal behaviour: The umbrella review protocol
2022
Abstract Aim To determine which interventions, from a nursing perspective, can be considered as the interventions of choice for the prevention and treatment of suicidal behaviour. In this way, the umbrella review attempts to identify nursing interventions from the Nursing Interventions Classification (NIC) taxonomy with evidence for this purpose. Design Descriptive study protocol. Methods This umbrella review will consist of an extensive, systematic search of published systematic reviews and meta‐analyses of studies examining interventions of choice for the prevention and treatment of suicidal behaviour. A systematic search of papers indexed in PubMed, CINAHL, Cochrane Database of Systemati…
Definitions and measurement of health literacy in health and medicine research: a systematic review
2022
ObjectivesThe way health literacy is understood (conceptualised) should be closely linked to how it is measured (operationalised). This study aimed to gain insights into how health literacy is defined and measured in current health literacy research and to examine the relationship between health literacy definitions and instruments.DesignSystematic review in accordance with the Preferred Reporting Items for Systematic Reviews and Meta-Analyses statement.Data sourcesThe MEDLINE, PsycINFO, ERIC and CINAHL databases were searched for articles published during two randomly selected months (March and October) in 2019.Eligibility criteriaWe included articles with a quantitative design that measur…
Exudate-based diabetic macular edema detection in fundus images using publicly available datasets
2010
International audience; Diabetic macular edema (DME) is a common vision threatening complication of diabetic retinopathy. In a large scale screening environment DME can be assessed by detecting exudates (a type of bright lesions) in fundus images. In this work, we introduce a new methodology for diagnosis of DME using a novel set of features based on colour, wavelet decomposition and automatic lesion segmentation. These features are employed to train a classifier able to automatically diagnose DME through the presence of exudation. We present a new publicly available dataset with ground-truth data containing 169 patients from various ethnic groups and levels of DME. This and other two publi…
An open-source computational and data resource to analyze digital maps of immunopeptidomes
2015
We present a novel mass spectrometry-based high-throughput workflow and an open-source computational and data resource to reproducibly identify and quantify HLA-associated peptides. Collectively, the resources support the generation of HLA allele-specific peptide assay libraries consisting of consensus fragment ion spectra, and the analysis of quantitative digital maps of HLA peptidomes generated from a range of biological sources by SWATH mass spectrometry (MS). This study represents the first community-based effort to develop a robust platform for the reproducible and quantitative measurement of the entire repertoire of peptides presented by HLA molecules, an essential step towards the de…
Narrow-diameter implants: A systematic review and meta-analysis.
2018
OBJECTIVES Narrow-diameter implants (NDI) are claimed to be a reasonable alternative to bone augmentation procedures. The aim of this comprehensive literature review was to conduct a meta-analysis comparing the implant survival of NDI and standard diameter implants (SDI) and to provide recommendations and guidelines for application of NDI. MATERIAL AND METHODS An extensive systematic literature search was performed in the PubMed/MEDLINE and the Cochrane Library databases. NDI were classified into Category 1 (implant diameter <3.0 mm, "mini-implants"), Category 2 (implant diameter 3-3.25 mm) and Category 3 (implant diameters 3.3-3.5 mm). Clinical studies at all levels of evidence with at lea…
Increasing the Coverage of Medicinal Chemistry-Relevant Space in Commercial Fragments Screening
2014
Analyzing the chemical space coverage in commercial fragment screening collections revealed the overlap between bioactive medicinal chemistry substructures and rule-of-three compliant fragments is only ∼25%. We recommend including these fragments in fragment screening libraries to maximize confidence in discovering hit matter within known bioactive chemical space, while incorporation of nonoverlapping substructures could offer novel hits in screening libraries. Using principal component analysis, polar and three-dimensional substructures display a higher-than-average enrichment of bioactive compounds, indicating increasing representation of these substructures may be beneficial in fragment …
Using databases to improve the visibility of women’s contributions in STEM fields
2021
Las bases de datos son herramientas muy poderosas para simplificar la gestión y el acceso a la información, que han demostrado ser capacidades fundamentales en la era de la ciencia de datos. Actualmente, las bases de datos se utilizan ampliamente en muchas aplicaciones y campos diferentes. En este trabajo destacamos los beneficios que pueden aportar las bases de datos disponibles públicamente de mujeres profesionales que trabajan en los campos de la Ciencia, la Tecnología, la Ingeniería y las Matemáticas (CTIM) para superar el problema de la falta de diversidad y equidad de género en estos campos. Algunos ejemplos de bases de datos públicas en España se presentan en este trabajo. Se hace es…