Design, synthesis, docking studies and bioactivity evaluation of 1,2,3-triazole eugenol derivatives.

Aim: The design, synthesis, docking studies and evaluation of the in vitro antifungal and cytotoxic properties of eugenol (EUG) containing 1,2,3-triazole derivatives are reported. Most of the derivatives have not been reported.Materials & methods: The EUG derivatives were synthesized, molecular docked and tested for their antifungal activity.Results: The compounds showed potent antifungal activity against Trichophyton rubrum, associated with dermatophytosis. Compounds 2a and 2i exhibited promising results, with 2a being four-times more potent than EUG. The binding mode prediction was similar to itraconazole in the lanosterol-14-α-demethylase wild-type and G73E mutant binding sites. Additionally, the pharmacokinetic profile prediction suggests good gastrointestinal absorption and potential oral administration.Conclusion: Compound 2a is a promising antifungal agent against dermatophytosis caused by T. rubrum.

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Ketoconazole/calix[n]arenes-based compounds improve the antifungal activity against azole-resistant Candida isolates.

Ketoconazole (KTZ) is an antifungal agent; however, its bioavailability and therapeutic efficacy are reduced by the low aqueous solubility of the drug. Aiming at providing to improve the biopharmaceutical properties of KTZ, we studied the water-soluble different calix[n]arenes as carrier systems for KTZ. All calix[n]arene-KTZ tested showed in vitro antifungal activity superior or similar to free KTZ against Candida spp. The CX6Na/KTZ obtained by physical mixture and freeze-drying methods were the most active, decreasing KTZ concentrations required for growth inhibition against azole-resistant isolates (e.g., C. auris). Moreover, CX6Na/KTZ showed no toxic effect on Galleria mellonella larvae and the treatment of infected larvae with C. albicans and C. auris was effective at a lower dose compared with free KTZ. Thus, CX6Na/KTZ may have a potential approach to treat mycosis, especially by improvement of KTZ inhibitory activity against azole-resistant Candida.

Chemical composition and effect of Dysphania ambrosioides (L.) mosyakin & clemants essential oil on Biomphalaria tenagophila (D'Orbigny, 1835).

Dysphania ambrosioides (L.) Mosyakin & Clemants, known as santa maria herb, is a medicinal plant used on pest control and to treat parasitic diseases. Due to its potential for pest control, the aim of this work was to determine the chemical composition of D. ambrosioides essential oil and evaluate its molluscicidal effect on Biomphalaria tenagophila, which is an intermediate host for the Schistosoma mansoni trematode, that is responsible for causing human schistosomiasis. The essential oil extracted from its leaves showed 87% of (Z)-ascaridole and 100% of mortality against B. tenagophila at 10 ppm after 24 h of experiment. LC50 and LC90 values were, respectively, 2.40 (1.90-2.99) ppm and 8.75 (6.39-14.12) ppm. D. ambrosioides essential oil proved to be a promising natural molluscicide against schistosomiasis when compared with commercial products.

Bioactivity of Meliaceae, Amaryllidaceae, Solanaceae and Amaranthaceae plant aqueous extracts against the cattle tick Rhipicephalus microplus.

Commercial synthetic acaricides have selected resistant populations of Rhipicephalus microplus, and generate residues in the environment or in milk/cattle products. In this study, aqueous extracts (AE) from Melia azedarach (Maz), Allium sativum, Capsicum chinense, Nicotiana tabacum (Nta) and Dysphania ambrosioides were evaluated for the bioactivity against the cattle tick. The treatment using Nta or Maz AE resulted in the lowest egg hatching rate (34.0 ± 11% and 25.0 ± 19%), and in the values of reproduction inhibition ranging from 89.0% to 85.3%. Phytochemical screening associated to RP-HPLC/DAD analysis suggested the presence of alkaloids for Nta and gallic acid derivatives and catechins, for Maz. Such results highlighted that the use of Nta and Maz AE can be a promising source of bioactive compounds for the control of infections caused by the cattle tick.

Environmental risk assessment for sustainable pesticide use in coffee production.

The extensive use of pesticides in agricultural practices has been associated with human health problems and environmental contamination worldwide. Brazil is the largest consumer of pesticides in the world and Espírito Santo State stands out as the second Brazilian producer of coffee. However, there is no information about environmental impact of coffee producing at Itapemirim River Basin (IRB) region, Espírito Santo State, Brazil; hence a simple and quick method using open access softwares (AGROSCRE and ARAquá Web) to estimate surface entrainment and pesticide leaching potential was carried out. AGROSCRE evaluates the contamination risk of superficial and groundwater by Active Ingredients (AIs), using GOSS Method, GUS index and US EPA criteria, while ARAquá Web estimates AI concentrations in water resources, indicating their suitability based on water quality requirements for different uses. Regarding pesticides used in coffee plantations, there is 44.7% chance of surface water and 23.7% chance of groundwater contamination. Results showed that ametryne, cyproconazole, diuron, epoxiconazole, flutriafol, triadimenol and triazophos pose contamination risk to both surface water and groundwater in the IRB region. Of these, 10.5% of the total AIs are triazoles and fall under environmental classes II and III (Product Very/Dangerous to the Environment). The AIs ametryne, thiamethoxam, iprodione, flutriafol, triazophos, endosulfan, triadimenol, cyproconazole, diuron, pendimethalin, chlorpyrifos, copper II hydroxide, etion, epoxiconazole and paraquat dichloride, were found to be potentially toxic, presenting environmental concentrations ranging from 123.40 µg L-1 to 0.14 µg L-1, which are higher than the safety standard for potable water (0.1 µg L-1). With respect to these AIs, chlorpyrifos, ethion and triazophos showed concentrations higher than EC50 values for aquatic invertebrates and ametryne and diuron for algae. Thus, local residents and environment may be at high risk of pesticide exposure, when these AIs are used in coffee plantations next to surface water or groundwater.

Spatial and temporal distribution of urban heat islands.

The formation of an urban heat island (UHI) is one of the most common impacts of the urbanization process. To mitigate the effects of UHI, the planning of urban forests (e.g., creation of parks, forests and afforestation streets) has been the major tool applied in this context. Thus, the aim of this study is to evaluate the spatial and temporal distribution of heat islands in Vila Velha, ES, Brazil using the mono-window algorithm. The study followed these methodological steps: 1) mapping of urban green areas through a photointerpretation screen; 2) application of the mono-window algorithm to obtain the spatial and temporal patterns of land surface temperature (LST); 3) correlation between LST and the normalized difference vegetation index (NDVI) and normalized difference build-up index (NDBI); 4) application of ecological evaluation index. The results showed that the mean values of LST in urban areas were at least 2.34 to 7.19°C higher than undeveloped areas. Moreover, the positive correlation between LST and NDBI showed an amplifying effect of the developed areas for UHI, while areas with a predominance of vegetation attenuated the effect of UHI. Urban centers, clustered in some parts of the city, received the worst ecological assessment index. Finally, the adoption of measures to guide the urban forest planning within urban centers is necessary to mitigate the effect of heat islands and provide thermal comfort in urban areas.

Geotechnology and landscape ecology applied to the selection of potential forest fragments for seed harvesting.

The Atlantic Forest biome is recognized for its biodiversity and is one of the most threatened biomes on the planet, with forest fragmentation increasing due to uncontrolled land use, land occupation, and population growth. The most serious aspect of the forest fragmentation process is the edge effect and the loss of biodiversity. In this context, the aim of this study was to evaluate the dynamics of forest fragmentation and select potential forest fragments with a higher degree of conservation for seed harvesting in the Itapemirim river basin, Espírito Santo State, Brazil. Image classification techniques, forest landscape ecology, and multi-criteria analysis were used to evaluate the evolution of forest fragmentation to develop the landscape metric indexes, and to select potential forest fragments for seed harvesting for the years 1985 and 2013. According to the results, there was a reduction of 2.55% of the occupancy of the fragments in the basin between the years 1985 and 2013. For the years 1985 and 2013, forest fragment units 2 and 3 were spatialized with a high potential for seed harvesting, representing 6.99% and 16.01% of the total fragments, respectively. The methodology used in this study has the potential to be used to support decisions for the selection of potential fragments for seed harvesting because selecting fragments in different environments by their spatial attributes provides a greater degree of conservation, contributing to the protection and conscious management of the forests. The proposed methodology can be adapted to other areas and different biomes of the world.