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Background: Untargeted studies led to the development of some pyrazolopyridine derivatives for the antiparasitic profile, particularly the derivatives containing the structural carbohydrazide subunit. In this work, we proceeded in the biological screening of 27 N’- (substitutedphenylmethylene)- 4-carbohydrazide-3-methyl-1-phenyl-1H-pyrazolo[3, 4-b]pyridine derivatives against T. cruzi as well as the cytotoxic evaluation. To obtain more information about the trypanocidal activity of this class of compounds, we carried out molecular docking simulations to get an insight into putative targets in T. cruzi. Methods: The assays were evaluated against both trypomastigote and amastigote forms of T. cruzi and cytotoxicity assays on LLCMK2 cells. The predominant conformational compounds were analyzed and molecular docking simulations performed. Results: The results from trypanocidal activity screening of this series showed that just the compounds with phenyl group at C-6 position exhibited activity and the N’-4-hydroxyphenylmethylene derivative presented the best profile against both trypomastigote and amastigote forms of T. cruzi. Docking simulation results showed that this compound has a binding affinity with both CYP51 and cruzain targets of T. cruzi. Conclusion: Our results indicate that the hydroxyl substituent at the N’-substituted-phenylmethylene moiety and the phenyl ring at C-6 of 1H-pyrazolo[3,4-b]pyridine system are relevant for the trypanocidal activity of this class of compounds. Also, docking simulations showed that activity presented can be related to more than one target of the parasite.

Background: Usnic acid has been progressively reported in the literature as one of the most important lichen metabolites characterized by a rich diversity of applications such as antifungal, antimicrobial, antiprotozoal and antiviral agent. Particularly, antimicrobial activity of usnic acid can be improved by encapsulation of active molecules in enteric electrospun fibers, allowing the controlled release of active molecule at specific pH. Few relevant patents to the topic have been reviewed and cited. Methods: Bactericidal activity of usnic acid-loaded electrospun fibers of Eudragit L-100 and polyvinylpyrrolidone was examined against Staphylococcus aureus using inhibition hales methodology. Results: The controlled release of active material at high pH is established after 10 minutes of interaction with media and results in reasonable activity against S. aureus, as detected by inhibition hales. Conclusion: The strong biological activity of usnic acid-loaded electrospun fibers provides a promising application for corresponding material as a bactericidal agent for wound healing treatment.

Plants when exposed to toxic levels of metals can suffer morphological or physiological damage because toxic metals can interact with several vital molecules in the plant. One possibility to remove these contaminants from the environment is through the phytoremediation technique, since secondary metabolites produced by plants can reverse these damages. To evaluate the cytoprotective activity, the dry mass and possible damage to the membranes of Lactuca sativa (lettuce) seedlings subjected to different concentrations of mercury chloride in association with catechin and quercetin in suballelopathic concentration were determined. The coordination of mercury chloride with substances was also evaluated using vibrational spectroscopy (Raman and FTIR). The interaction of the mentioned flavonoids with mercury chloride was evidenced through vibrational spectroscopy. When the metal was associated with catechin and quercetin, there was an increase in dry mass of almost 3 times when compared with the HgCl2 alone, demonstrating that these flavonoids act as cytoprotective agents. However, in the presence of catechin and quercetin, membrane damage caused by mercury chloride has a level similar to that observed in control plants, demonstrating none statistical difference. Comparing the highest concentration with the lowest concentration of the metal associated with quercetin, it can be seen that the intensity of the peaks in this region decreases when the concentration of the metal increases, indicating an interaction between the metallic compound and the flavonoid. In this context, the use of secondary metabolites can be an alternative in the process of remediation of areas contaminated by mercury chloride, as they mitigate the effects of mercury chloride on lettuce seedlings.