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1.
Front Pharmacol ; 14: 1182465, 2023.
Artigo em Inglês | MEDLINE | ID: mdl-37601065

RESUMO

The emergence of Severe Acute Respiratory Syndrome Corona Virus 2 (SARS-CoV-2) posed a serious worldwide threat and emphasized the urgency to find efficient solutions to combat the spread of the virus. Drug repurposing has attracted more attention than traditional approaches due to its potential for a time- and cost-effective discovery of new applications for the existing FDA-approved drugs. Given the reported success of machine learning (ML) in virtual drug screening, it is warranted as a promising approach to identify potential SARS-CoV-2 inhibitors. The implementation of ML in drug repurposing requires the presence of reliable digital databases for the extraction of the data of interest. Numerous databases archive research data from studies so that it can be used for different purposes. This article reviews two aspects: the frequently used databases in ML-based drug repurposing studies for SARS-CoV-2, and the recent ML models that have been developed for the prospective prediction of potential inhibitors against the new virus. Both types of ML models, Deep Learning models and conventional ML models, are reviewed in terms of introduction, methodology, and its recent applications in the prospective predictions of SARS-CoV-2 inhibitors. Furthermore, the features and limitations of the databases are provided to guide researchers in choosing suitable databases according to their research interests.

2.
Environ Pollut ; 258: 113831, 2020 Mar.
Artigo em Inglês | MEDLINE | ID: mdl-31874431

RESUMO

The microparticle content of 37 common facial and body scrubs commercially available in the United Arab Emirates was analyzed. The chemical composition, ash content, physical characteristics, loading, particle size and shape of the microparticles were determined. Only 11 out of 37 products were found to have microplastic content. Many of the remaining products exhibited microparticles composed of microcrystalline cellulose and crushed walnut shells. Differential scanning calorimetry showed that microplastic products had softening points as low as 84 °C. Plastic microbeads of 2 products were found to fuse at 100 °C. The fusion altered the flotation characteristics of the microbeads of one product. Heat treatment of the product at 100 °C in the presence of silica gel led to entrainment of the silica and partial fragmentation of the beads upon cooling. This may be understood as one mechanism of fragmentation of a microplastic with a low softening point in the presence of hard soil particles under temperature cycling.


Assuntos
Cosméticos , Monitoramento Ambiental , Microesferas , Poluentes Químicos da Água , Plásticos , Emirados Árabes Unidos
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