An Evaluation of the Potential of Essential Oils against SARS-CoV-2 from In Silico Studies through the Systematic Review Using a Chemometric Approach.

Essential oils (EOs) and their compounds have attracted particular attention for their reported beneficial properties, especially their antiviral potential. However, data regarding their anti-SARS-CoV-2 potential are scarce in the literature. Thus, this study aimed to identify the most promising EO compounds against SARS-CoV-2 based on their physicochemical, pharmacokinetic, and toxicity properties. A systematic literature search retrieved 1669 articles; 40 met the eligibility criteria, and 35 were eligible for analysis. These studies resulted in 465 EO compounds evaluated against 11 human and/or SARS-CoV-2 target proteins. Ninety-four EO compounds and seven reference drugs were clustered by the highest predicted binding affinity. Furthermore, 41 EO compounds showed suitable drug-likeness and bioactivity score indices (≥0.67). Among these EO compounds, 15 were considered the most promising against SARS-CoV-2 with the ADME/T index ranging from 0.86 to 0.81. Some plant species were identified as EO potential sources with anti-SARS-CoV-2 activity, such as Melissa officinalis Arcang, Zataria multiflora Boiss, Eugenia brasiliensis Cambess, Zingiber zerumbet Triboun & K.Larsen, Cedrus libani A.Rich, and Vetiveria zizanoides Nash. Our work can help fill the gap in the literature and guide further in vitro and in vivo studies, intending to optimize the finding of effective EOs against COVID-19.

The Spread of the COVID-19 Outbreak in Brazil: An Overview by Kohonen Self-Organizing Map Networks.

Background and objective: In the current pandemic scenario, data mining tools are fundamental to evaluate the measures adopted to contain the spread of COVID-19. In this study, unsupervised neural networks of the Self-Organizing Maps (SOM) type were used to assess the spatial and temporal spread of COVID-19 in Brazil, according to the number of cases and deaths in regions, states, and cities. Materials and methods: The SOM applied in this context does not evaluate which measures applied have helped contain the spread of the disease, but these datasets represent the repercussions of the country's measures, which were implemented to contain the virus' spread. Results: This approach demonstrated that the spread of the disease in Brazil does not have a standard behavior, changing according to the region, state, or city. The analyses showed that cities and states in the north and northeast regions of the country were the most affected by the disease, with the highest number of cases and deaths registered per 100,000 inhabitants. Conclusions: The SOM clustering was able to spatially group cities, states, and regions according to their coronavirus cases, with similar behavior. Thus, it is possible to benefit from the use of similar strategies to deal with the virus' spread in these cities, states, and regions.

Can Socioeconomic, Health, and Safety Data Explain the Spread of COVID-19 Outbreak on Brazilian Federative Units?

Infinite factors can influence the spread of COVID-19. Evaluating factors related to the spread of the disease is essential to point out measures that take effect. In this study, the influence of 14 variables was assessed together by Artificial Neural Networks (ANN) of the type Self-Organizing Maps (SOM), to verify the relationship between numbers of cases and deaths from COVID-19 in Brazilian states for 110 days. The SOM analysis showed that the variables that presented a more significant relationship with the numbers of cases and deaths by COVID-19 were influenza vaccine applied, Intensive Care Unit (ICU), ventilators, physicians, nurses, and the Human Development Index (HDI). In general, Brazilian states with the highest rates of influenza vaccine applied, ICU beds, ventilators, physicians, and nurses, per 100,000 inhabitants, had the lowest number of cases and deaths from COVID-19, while the states with the lowest rates were most affected by the disease. According to the SOM analysis, other variables such as Personal Protective Equipment (PPE), tests, drugs, and Federal funds, did not have as significant effect as expected.