The amidation of fatty acid is an important reaction for synthesis of fatty alkolamines with a variety of pharmacological activities. The objective of this paper was to demonstrate the aminolysis ...direct and solvent of the triglycerides from the patawa oil by heterogeneous catalysis. The results of the amidation direct free solvents were favorable using 5% Al
2
O
3
as catalyst, with a conversion of 94% at 24 h of reaction. After spectroscopic characterization, we decided explore the antimicrobial tests of the fatty amides (FAA) against the
Staphylococcus aureus
strain (ATCC 33591), showing a MIC activity of 1.9612 mg/mL and the fatty ethyl esters (FAEE) a 3.4125 mg/mL MIC. Therefore, the synthesis direct free solvents of FAA by Al
2
O
3
from patawa oil was viable and innovative.
Graphical Abstract
Endophytic fungi are microorganisms capable of colonizing the interior of plant tissues without causing damage to them. The study of the secondary metabolites produced by their vast biodiversity ...fungal is relevant for the discovery of new products for biotechnological and agrochemical applications. In addition, extract of the endophytic fungus
Aspergillus
sp., isolated from the almonds of
Bertholletia excelsa
Humn & Bonlp collected in the Brazilian Amazon, oviposition deterrent, and larvicidal activity of against
Aedes aegypti
. In the oviposition deterrence test was observed that females able to lay eggs preferred the control oviposition sites (46.6%). Furthermore, the extract showed larvicidal activity with LC50 26.86 µg/mL at 24 h and 18.75 µg/mL at 48 h. Molecular docking studies showed the compound Aspergillol B a potent larvicide by to inhibit the acetylcholinesterase enzyme (− 7.74 kcal/mol). These results indicate that compounds from secondary metabolites of
Aspergillus
sp., isolated from almonds of
B. excelsa
, are useful biological potential against vectors
A. aegypti.
This study aimed to identify potential inhibitors and investigate the mechanism of action on SARS-CoV-2 ACE2 receptors using a molecular modeling study and theoretical determination of biological ...activity. Hydroxychloroquine was used as a pivot structure and antimalarial analogues of 1,2,4,5 tetraoxanes were used for the construction and evaluation of pharmacophoric models. The pharmacophore-based virtual screening was performed on the Molport
database (~7.9 million compounds) and obtained 313 structures. Additionally, a pharmacokinetic study was developed, obtaining 174 structures with 99% confidence for human intestinal absorption and penetration into the blood-brain barrier (BBB); posteriorly, a study of toxicological properties was realized. Toxicological predictions showed that the selected molecules do not present a risk of hepatotoxicity, carcinogenicity, mutagenicity, and skin irritation. Only 54 structures were selected for molecular docking studies, and five structures showed binding affinity (ΔG) values satisfactory for ACE2 receptors (PDB 6M0J), in which the molecule MolPort-007-913-111 had the best ΔG value of -8.540 Kcal/mol, followed by MolPort-002-693-933 with ΔG = -8.440 Kcal/mol. Theoretical determination of biological activity was realized for 54 structures, and five molecules showed potential protease inhibitors. Additionally, we investigated the Mpro receptor (6M0K) for the five structures via molecular docking, and we confirmed the possible interaction with the target. In parallel, we selected the TopsHits 9 with antiviral potential that evaluated synthetic accessibility for future synthesis studies and in vivo and in vitro tests.
Increased consumption of palm oil results in more palm oil by-products. To meet environmental sustainability goals, deodorizing distillate palm oil (DDPO) also calls attention to diversifying its ...technological or commercial application. Because of this, the present work, to present new economic-scientific alternatives for this by-product, aimed to evaluate the larvicide effect of DDPO as to investigate the synergistic effect of the combination of these free fatty acids (FFA’s) present in the composition of DDPO, against larvae of the 3rd instar of
Ae. aegypti
. The DDPO larvicide assay showed a high mortality rate, with an LC
50
of 6.18 μg.mL
− 1
at 24 h and 8.73 μg.mL
− 1
at 48 h of treatment. In addition, the results of LC
50
, among saturated fatty foods and between the combination of free fatty acids (myristic, lauric, stearic, and oleic) with palmitic acid were met positively by second-degree polynomial regression analysis. Finally, the study of molecular docking, corroborated the potential inhibitors of the binding of juvenile hormones. Together, the results suggest that DDPO can be a potential natural larvicide agent, making it an alternative to the excessive use of synthetic insecticides, thus minimizing its impacts on the environment, and promoting new technologies for the use of this palm oil by-product.
Graphic Abstract
This work reports the preparation of nanoparticles of silk fibroin with esters obtained from the oils of two Amazonian plant species (Carapa guianensis Aublet and Bertholletia excelsa) with excellent ...physicochemical properties and activity against the larvae of the vector Aedes aegypti. The temporal stability of the nanoparticles was evaluated for 50 days at temperatures of 4 ºC and 32 ºC. The size of the nanoparticle was satisfactory, with sizes ranging from 207 ± 2.3 nm to 540.8 ± 23.8 nm, and PdI values ranging from 0.294 to 0.560, and zeta potential from − 37.9 ± 0.3 mV to − 62.9 ± 0.7 mV. Study of the morphology of nanoparticles, by transmission electron microscopy analysis, clearly showed spherical shapes . The nanoparticles presented slow and controlled release that induced a high mortality rate in the 3rd larval instar of Ae. aegypti, with LC50 of 27.45 μg. mL−1 for FABE-Cg-SF-NPs and LC50 of 21.14 μg.mL−1 for FABE-Be-SF-NPs, after 48 h of exposure. In addition, they were able to inhibit oviposition by Ae. aegypti. However, the nanoparticles did not present significant teratogenic effects on zebrafish embryos up to 72 h post-fertilization. Thus, the formation of nanoparticles by butyl esters in silk fibroin may become an (eco)alternative and effective in the control of Ae. aegypti larvae.
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•Nanoparticle from Carapa guianensis (CgSFNp) and Bertholletia excelsa (BeSFNp) and silk fibroin.•Study oxidative stability and in vitro release of BeSFNp and CgSFNp.•Excellent larvicidal activity and oviposition-deterrence against the vector A. aegypti.•Nanoparticles did not present teratogenic effects on zebrafish embryos up to 72 h.
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•The Carapa guianensis oils with differences in lipid and physicochemical properties.•Preparation of emulsion from C. guianensis oil associate with silk fibroin solution.•The ...emulsions of C. guianensis using silk fibroin showed high activity against larvae of Aedes aegypti.•The biopolymeric matrix of silk fibroin increases the biodistribution and bioavailability of active in medium aqueous.
This paper report the use of Carapa guianensis Abul. (Meliaceae) oil and derivates fatty acid ethyl ester (FAEE’s) and free fatty acid (FFA’s) associate with silk fibroin (SF), and its activity against the larvae of the vector Aedes aegypti. The emulsions FFA2-SF derived from AO2, that mostly contained unsaturated fatty acids, presented the best results against the larvae of Ae. aegypti after a 48 h period (LC50 = 16.79 mg.mL−1), causing structural alterations to the vector. It is suggested that the biopolymeric matrix of silk fibroin increases the biodistribution and bioavailability of active in medium aqueous. This is the first work of its type which has pointed larvicidal activity of the free fatty acid from C. guianensis, associate with silk fibroin against Aedes aegypti.
The application of cyanoacetic acid as a catalyst for the Biginelli reaction and as an active methylene compound for the Knoevenagel condensation reaction was evaluated. Using cyanoacetic acid as a ...Bronsted acid catalyst, after a synthetic optimization process, it was possible to synthesize eight dihydropyrimidinones with good yields (80-99%) using ethanol as solvent. It is the first time, to our knowledge, that the use of cyanoacetic acid is reported in the synthesis of this class of compounds, which have a wide bioactive potential. Also, cyanoacetic acid was used as a reagent in the Knoevenagel condensation, through which polyfunctionalized olefins were obtained and can be used as building blocks for structurally complex molecules. By using KOH as catalyst, eleven Knoevenagel adducts were synthesized with good yields (65-97%), under microwave irradiation as heating source, in water. Moreover, Knoevenagel adducts containing halogenated substituents (F, Cl) showed potential larvicidal activity with lethal concentrations (LC50) of 19.63, 33.84 µg mL-1 and LC90 of 27.46 and 48.16 µg mL-1. This study showed the versatility of cyanoacetic acid as a catalyst for the synthesis of dihydropirimidinones, aldol compounds and presented the first study showing their larvicidal activity against Aedes aegypti.
The Aedes aegypti mosquito is a vector that causes various diseases such as chikungunya fever, dengue and Zika, and therefore constitutes a public health problem. The present study was carried out to ...evaluate the larvicidal activity of different crude extracts (methanolic, hydroethanolic and hexanic) from leaves of Acmella oleracea solubilized in fibroin solution, as an alternative to the organic solvents that are used against Aedes aegypti. Using the Probit analysis, the hexane extract showed LC50 of 2.23 μg/mL after 24 h, whereas the hydroethanolic and the methanolic extracts showed LC50 of 28.42 μg/mL and 39.67 μg/mL, respectively. These extracts also did not show toxicity towards Chlorella vulgaris after 30 days, which suggests that they can be used without causing environmental damage. Thus, A. oleracea extract dissolved in fibroin solution could be an alternative for controlling Ae. aegypti without causing damage to the environment.
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•Preparation of extracts (methanolic, hydroethanolic and hexanic) from Acmella oleracea, solubilized with silk fibroin.•The hexane extract showed greatest larvicidal action (LC50 5.45 μg/mL for 48 h).•The silk fibroin solution improved the larvicidal action of the extracts from A. oleracea.•These extracts also did not show toxicity towards Chlorella vulgaris after 30 days.
The amidation of fatty acid is an important reaction for synthesis of fatty alkolamines with a variety of pharmacological activities. The objective of this paper was to demonstrate the aminolysis ...direct and solvent of the triglycerides from the patawa oil by heterogeneous catalysis. The results of the amidation direct free solvents were favorable using 5% Al.sub.2O.sub.3 as catalyst, with a conversion of 94% at 24 h of reaction. After spectroscopic characterization, we decided explore the antimicrobial tests of the fatty amides (FAA) against the Staphylococcus aureus strain (ATCC 33591), showing a MIC activity of 1.9612 mg/mL and the fatty ethyl esters (FAEE) a 3.4125 mg/mL MIC. Therefore, the synthesis direct free solvents of FAA by Al.sub.2O.sub.3 from patawa oil was viable and innovative.
The amidation of fatty acid is an important reaction for synthesis of fatty alkolamines with a variety of pharmacological activities. The objective of this paper was to demonstrate the aminolysis ...direct and solvent of the triglycerides from the patawa oil by heterogeneous catalysis. The results of the amidation direct free solvents were favorable using 5% Al.sub.2O.sub.3 as catalyst, with a conversion of 94% at 24 h of reaction. After spectroscopic characterization, we decided explore the antimicrobial tests of the fatty amides (FAA) against the Staphylococcus aureus strain (ATCC 33591), showing a MIC activity of 1.9612 mg/mL and the fatty ethyl esters (FAEE) a 3.4125 mg/mL MIC. Therefore, the synthesis direct free solvents of FAA by Al.sub.2O.sub.3 from patawa oil was viable and innovative. Graphical
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