Emerging contaminants such as 17α-ethynylestradiol (EE2) can be discharged from sewage systems and contaminate water supplies. Paranoá Lake is a strategic water reservoir in Brasília (Brazil) that receives treated sewage from sewage treatment plants (STPs) and has recently become a water supply. This study monitored EE2 residues in different matrices from Paranoá Lake watershed using the ELISA method. This monitoring was performed together with the local environmental agency in two periods. EE2 was detected in all sewage samples showing that this residue is continually being discharged into the lake. However, EE2 was found in only one freshwater sample (0.07 ng L-1), which is below the predicted no-effect concentration considered as a risk for aquatic animals. EE2 was not detected in treated water. Nevertheless, the increased use of freshwater as a water supply signals the need for continuous EE2 monitoring in the lake.

Mycobacterium tuberculosis (Mtb) is an endemic bacterium worldwide that causes tuberculosis (TB) and involves long-term treatment that is not always effective. In this context, several studies are trying to develop and evaluate new substances active against Mtb. In silico techniques are often used to predict the effects on some known target. We used a systematic approach to find and evaluate manuscripts that applied an in silico technique to find antimycobacterial molecules and tried to prove its predictive potential by testing them in vitro or in vivo. After searching three different databases and applying exclusion criteria, we were able to retrieve 46 documents. We found that they all follow a similar screening procedure, but few studies exploited equal targets, exploring the interaction of multiple ligands to 29 distinct enzymes. The following in vitro/vivo analysis showed that, although the virtual assays were able to decrease the number of molecules tested, saving time and money, virtual screening procedures still need to develop the correlation to more favorable in vitro outcomes. We find that the in silico approach has a good predictive power for in vitro results, but call for more studies to evaluate its clinical predictive possibilities.

Vitamin C is a supplement used orally by several people globally. It may help in many other conditions, like sepsis, which is caused by an infection that leads to an imbalanced immune response involving pro (e.g., TNF-α, IL-1, IL-2, IL-6) and anti-inflammatory (e.g., IL-10, IL-4, IL-7) cytokines. Ascorbic acid is an antioxidant and acts against reactive oxygen species. At the same time, this vitamin influences cellular immune signaling, avoiding exacerbated transcription of pro-inflammatory cytokines. Very high intravenous doses have already shown to be beneficial in septic patients. Some clinical trials are still running to evaluate the real impact of vitamin C in this condition. To the moment, the combination of low-dose corticosteroids, high-dose parenteral ascorbate, and thiamine seems to be the most effective supportive treatment that could help septic patients recover.

Graphical AbstractPredictive power of in silico approach to evaluate chemicals against M. tuberculosis: A systematic review 2 Abstract: Tuberculosis is still one of the most prevalent diseases worldwide caused by Mycobacterium tuberculosis (Mtb), bearing a long-term treatment that is not always effective. Admitting this context, multiple studies have been trying to develop novel substances against Mtb, specially using in silico techniques to predict its effects on a known target. Using a systematic approach, we were able to retrieve and evaluate 46 manuscripts from three different databases that firstly applied an in silico technique to explore new antimycobacterial molecules and secondly attempted to prove its predictive potential by an in vitro or in vivo assay. We found that although all manuscripts followed a similar screening procedure (ligand and/or structure-based screening), they explored a large number of ligands on 29 distinct bacterial enzymes. The following in vitro/vivo analysis showed that the virtual screening was able to decrease the number of tested molecules, saving time and funding, but could only provide a modest correlation to the effectiveness of those molecules in vitro. In short, we found that the preliminary in silico approach is recommended specially on the early steps in developing a new drug, but call for more studies to evaluate its clinical predictive possibilities.