Agroquímica

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http://repositorio.ufes.br/handle/10/17376

Programa de Pós-Graduação em Agroquímica

Centro: CCENS
Telefone: (28) 3552 8731
URL do programa: http://www.agroquimica.alegre.ufes.br/pos-graduacao/PPGAQ

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Avaliação do efeito antifúngico de derivados triazólicos obtidos por estratégia de hibridação molecular
(Universidade Federal do Espírito Santo, 2024-04-02) Silva, Jéssica Adalgisa Barbosa; Co-orientador1; https://orcid.org/; http://lattes.cnpq.br/; Co-orientador2; https://orcid.org/; http://lattes.cnpq.br/; Co-orientador3; https://orcid.org/; http://lattes.cnpq.br/; Orientador1; https://orcid.org/; http://lattes.cnpq.br/; Orientador2; https://orcid.org/; http://lattes.cnpq.br/; https://orcid.org/; http://lattes.cnpq.br/; 1º membro da banca; https://orcid.org/; http://lattes.cnpq.br/; 2º membro da banca; https://orcid.org/; http://lattes.cnpq.br/; 3º membro da banca; https://orcid.org/; http://lattes.cnpq.br/; 4º membro da banca; https://orcid.org/; http://lattes.cnpq.br/; 5º membro da banca; https://orcid.org/; http://lattes.cnpq.br/; 6º membro da banca; https://orcid.org/; http://lattes.cnpq.br/; 7º membro da banca; https://orcid.org/; http://lattes.cnpq.br/
Black pepper has been increasingly gaining ground in the international market, accounting for 98% of Brazilian pepper exports. Espírito Santo is the most prominent state in Brazil as a black pepper producer, contributing 60% of the country's production of this spice. However, this cultivation is frequently threatened by the fungus Fusarium solani, which causes root rot in the plants. With the aim of producing new promising molecules against this pathogen, novel triazole compounds derived from natural products were synthesized. Initially, the azido-adamantane derivatives 20 and 23 were obtained and subsequently combined with alkynes derived from natural products, such as isatin, p-coumaric acid, eugenol, and thymol, to form the 1,4-disubstituted 1,2,3- triazole ring. Therefore, in this study, six molecular hybrids were designed through the copper(I)-catalyzed azide-alkyne cycloaddition reaction (CuAAC), also known as "Click Chemistry," in the presence of copper(II) sulfate pentahydrate and sodium ascorbate. The compounds 25a-b and 26a-d were characterized by 1H NMR, 13C, COSY, HMQC, HSQC, and infrared spectroscopy (FTIR) and achieved yields ranging from 20.35% to 63.66%. Molecular docking studies between the synthesized compounds and the enzyme Succinate Dehydrogenase (SDH), PDB: 1NEN, indicated that compounds 26b and 26d are potential SDH inhibitors, with hydrogen bond interactions analogous to those of the original ligand DNT, involving the amino acid residues TYR83, TRP164, and ARG31.
Bromação e esterificação de fenóis de origem natural e avaliação do seu potencial fungicida frente ao fungo Colletotrichum musae
(Universidade Federal do Espírito Santo, 2024-06-10) Costa, Kamille Azevedo; Co-orientador1; https://orcid.org/; http://lattes.cnpq.br/; Co-orientador2; https://orcid.org/; http://lattes.cnpq.br/; Co-orientador3; https://orcid.org/; http://lattes.cnpq.br/; Orientador1; https://orcid.org/; http://lattes.cnpq.br/; Orientador2; https://orcid.org/; http://lattes.cnpq.br/; https://orcid.org/; http://lattes.cnpq.br/; 1º membro da banca; https://orcid.org/; http://lattes.cnpq.br/; 2º membro da banca; https://orcid.org/; http://lattes.cnpq.br/; 3º membro da banca; https://orcid.org/; http://lattes.cnpq.br/; 4º membro da banca; https://orcid.org/; http://lattes.cnpq.br/; 5º membro da banca; https://orcid.org/; http://lattes.cnpq.br/; 6º membro da banca; https://orcid.org/; http://lattes.cnpq.br/; 7º membro da banca; https://orcid.org/; http://lattes.cnpq.br/
Brazil is one of the largest agricultural producers in the world, however, it faces major challenges in agriculture due to the incidence of diseases in plantations, mainly fungal. Chemical control is the most used in crops, however, the disordered use of agrochemicals has caused great resistance of pathogens to synthetic fungicides currently sold. In view of this, looking for new molecules that generate less environmental impact and that are more selective for a given disease is very important. Through catalytic processes, it is possible to facilitate the synthesis of new molecules, enabling the obtaining of substances with potential fungicidal activity. In this context, the present study aims to brominate and esterify phenols of natural origin, via one pot/tandem catalytic synthesis, using CuCl2 as a catalyst and acetic anhydride as an acetylating agent, and to evaluate the antifungal effect under in vitro conditions against fungus Colletotrichum musae. The catalytic process developed, depending on the substrate, can achieve conversion and selectivity of 100%, the reactions were monitored by Gas Chromatography coupled to DIC, and the synthesized products were identified by Gas Chromatography coupled to Mass Spectrometry (GC/MS) and 1H and 13C Nuclear Magnetic Resonance e. In this system, it was possible to confirm that the catalyst promotes the reaction in the first stage, and accelerates the second stage, showing that this reaction is of the tandem type. The antifungal tests with the fungus C. musae were carried out with the synthesized products derived from eugenol and showed excellent inhibitory potential, however, the synthesis product from the first stage (IC50= 94 mg/L; IC90=474 mg/L) has better antifungal action than the product from the second stage (IC50= 314 mg/L; IC90=3100 mg/L), as it completely inhibits the fungus in lower concentrations. This research demonstrated promising results, as it was possible to develop and apply an efficient and low-cost one-pot/tandem catalytic system, and with low concentrations of the synthetic product it was possible to inhibit the mycelial development of the fungus C. musae
Caracterização físico-química de biochars provenientes de lodo de esgoto : influência de diferentes temperaturas de pirólise e atmosferas
(Universidade Federal do Espírito Santo, 2024-03-21) Pires, Keyla Bendia; Co-orientador1; https://orcid.org/; http://lattes.cnpq.br/; Co-orientador2; https://orcid.org/; http://lattes.cnpq.br/; Co-orientador3; https://orcid.org/; http://lattes.cnpq.br/; Orientador1; https://orcid.org/; http://lattes.cnpq.br/; Orientador2; https://orcid.org/; http://lattes.cnpq.br/; https://orcid.org/; http://lattes.cnpq.br/; 1º membro da banca; https://orcid.org/; http://lattes.cnpq.br/; 2º membro da banca; https://orcid.org/; http://lattes.cnpq.br/; 3º membro da banca; https://orcid.org/; http://lattes.cnpq.br/; 4º membro da banca; https://orcid.org/; http://lattes.cnpq.br/; 5º membro da banca; https://orcid.org/; http://lattes.cnpq.br/; 6º membro da banca; https://orcid.org/; http://lattes.cnpq.br/; 7º membro da banca; https://orcid.org/; http://lattes.cnpq.br/
This research study, driven by population growth and the ensuing environmental challenges, is dedicated to exploring sustainable solutions for the treatment of sewage sludge (SS). The principal objective was to generate biochar derived from SS at three distinct locations within the southern region of Espírito Santo, Brazil. The pyrolysis process was conducted at temperatures of 350, 550, and 750°C in the presence or absence of argon flow. Atomic absorption spectroscopy (AAS) was utilized to assess the biochar's elemental composition, employing three distinct acid extraction methodologies for the nutritional analysis. The results obtained by AAS indicated significant data for the pseudo-total availability of potassium in Cachoeiro, at 550 °C under an argon atmosphere, reaching 15 g/kg, and calcium in Itaoca at 750 °C under an oxygen atmosphere, reaching 30 g/kg. In Pacotuba, the percentage availability of calcium reached 47% at 750 °C in an oxygen atmosphere. The percentage availability of manganese in Pacotuba also exhibited a significant result, reaching 25% at three treatment temperatures in an argon atmosphere. The second phase entailed a qualitative analysis employing scanning electron microscopy (SEM), energy-dispersive spectroscopy (EDS), X-ray diffraction, and Fourier transform infrared spectroscopy (FT-IR). X-ray diffraction analysis revealed the formation of turbostratic carbon structures and the formation of crystalline structures of inorganic compounds. Scanning electron microscopy (SEM) images demonstrated that the particle's interior consisted of a dark core indicative of carbon, while lighter inorganic oxides adhered to the surface. Fourier transform infrared (FT-IR) analysis revealed the presence of structures such as hydroxyl groups and C-H stretches at wavelengths between 4000 and 3500 cm-1 . The present study significantly advances our understanding of environmental stewardship in a context of sustainable agricultural practices. Biochar has been proven to be an efficacious conditioning agent for potassium and calcium, as evidenced by this study
Desenvolvimento e efeito de emulsões contendo compostos bioativos sobre Fusarium oxysporum f. sp. lycopersici e qualidade fisiológica de sementes de tomate
(Universidade Federal do Espírito Santo, 2024-01-23) Peccini, Luan Rezende; Costa, Adilson Vidal ; https://orcid.org/; http://lattes.cnpq.br/; Pires, Raquel Maria de Oliveira ; https://orcid.org/; http://lattes.cnpq.br/; Co-orientador3; https://orcid.org/; http://lattes.cnpq.br/; Queiroz, Vagner Tebaldi ; https://orcid.org/; http://lattes.cnpq.br/; Orientador2; https://orcid.org/; http://lattes.cnpq.br/; https://orcid.org/; http://lattes.cnpq.br/; Soares, Lucas de Souza ; https://orcid.org/; http://lattes.cnpq.br/; Flores, Rafaela Venancio ; https://orcid.org/; http://lattes.cnpq.br/; 3º membro da banca; https://orcid.org/; http://lattes.cnpq.br/; 4º membro da banca; https://orcid.org/; http://lattes.cnpq.br/; 5º membro da banca; https://orcid.org/; http://lattes.cnpq.br/; 6º membro da banca; https://orcid.org/; http://lattes.cnpq.br/; 7º membro da banca; https://orcid.org/; http://lattes.cnpq.br/
Tomato is the solanaceous crop frequently affected by various pathogens, including the fungus Fusarium oxysporum f. sp. lycopersici (Fol), which causes Fusarium wilt and reduces productivity. In this study, different formulations containing thymol (Thy) or carvacrol (Car) were developed and their effects on Fol and the physiological quality of tomato seeds were evaluated. Thy emulsions (EsT) were developed considering surfactant concentration, vortex homogenization time (HVtx) and high-intensity ultrasound time (HHUs). EsT9%S1 emulsion, comprising 9.0% surfactant, 2.5 minutes of HVtx and 3.0 min of HHUs, kept kinetic stability over a 28 day storage period. EsT9%S1 showed antifungal activity against Fol at inhibitory concentrations of IC50 = 0.052 mg mL -1 and IC90 = 0.268 mg mL-1 . Seeds treated with EsT9%S1 maintained electrical conductivity (EC) and pH in the range of 240.9 to 597.7 μS cm-1 g -1 and 6.8 to 7.6, respectively over 24h. Additionally, no signs of phytotoxicity were observed in the tomato seeds. Coatings using cassava starch (CS) and glycerol (Glyc), incorporating different concentrations of carvacrol nanoemulsion (CNE) and/or red cabbage extract (RCE) were developed and characterized. Analysis of the FTIR and XRD spectra showed interactions among CS, Glyc, CNE, and/or RCE, indicated by shifts/emergence of new bands, and the appearance of amorphous peaks. The incorporation of CNE, and/or RCE made the film's surface more rough, increased thermal stability and EC, decreased pH, and modified solubility and swelling properties. Films with the addition of CNE and/or RCE exhibited antioxidant activity, an important property for protecting seeds against oxidative stress. Physiological analyses revealed the absence of phytotoxicity in the coatings applied to the tomato seeds. The results highlight the potential of EsT9%S1 and the films containing CS, Glyc, CNE, and/or RCE for evaluation as tomato seed coatings
Eficiência de biofiltros na qualidade da água em aquicultura
(Universidade Federal do Espírito Santo, 2024-03-04) Marques, Viviane dos Santos; Co-orientador1; https://orcid.org/; http://lattes.cnpq.br/; Co-orientador2; https://orcid.org/; http://lattes.cnpq.br/; Co-orientador3; https://orcid.org/; http://lattes.cnpq.br/; Orientador1; https://orcid.org/; http://lattes.cnpq.br/; Orientador2; https://orcid.org/; http://lattes.cnpq.br/; https://orcid.org/; http://lattes.cnpq.br/; 1º membro da banca; https://orcid.org/; http://lattes.cnpq.br/; 2º membro da banca; https://orcid.org/; http://lattes.cnpq.br/; 3º membro da banca; https://orcid.org/; http://lattes.cnpq.br/; 4º membro da banca; https://orcid.org/; http://lattes.cnpq.br/; 5º membro da banca; https://orcid.org/; http://lattes.cnpq.br/; 6º membro da banca; https://orcid.org/; http://lattes.cnpq.br/; 7º membro da banca; https://orcid.org/; http://lattes.cnpq.br/
Aquaculture has been experiencing accelerated growth in recent years due to the demand for sustainable food sources and preservation of natural resources. Advances in technologies and management practices have improved efficiency and productivity in aquaculture, contributing economically and environmentally. No water recirculation system (RAS) is continuously recycled and treated to maintain ideal quality, through mechanical and biological filters, in addition, it allows the control of environmental parameters, optimizing various aspects of cultivation. Therefore, the objective of this work is to analyze the influence of different biological filter substrates on maintaining water quality and performance of juvenile Nile tilapia cultivated in RAS. To this end, the study was divided into three chapters, which address the zootechnical performance of Nile tilapia, the physical-chemical quality of the water and the use of eggshell as an alternative substrate for biofilters, respectively. The results obtained were subjected to analysis of variance and a significant effect was selected. The means were compared using the Tukey tests at 5% and Duncan tests at 10% significance. The use of eggshell as a substrate was efficient and stood out among other treatments, providing its economic and environmental predictions when used as a filtering medium, requiring further research into its handling and durability. For CE and SST, values above those recommended by legislation were recorded. For ammonia, critical analyzes were observed up to 30 days, after this period the biofilters reached complete maturation and were efficient in converting ammonia into nitrite and nitrate, maintaining the production levels of these substances at the end of the experiment. It is concluded that all treatments provide satisfactory conditions for performance and water quality, especially those composed of different proportions of clay and gravel, reflecting on the well-being and growth of the animals
Estrutura supramolecular entre 2-hidroxipropil-β-ciclodextrina e citral potencializa a atividade contra Rhipicephalus microplus (Acari: Ixodidae)
(Universidade Federal do Espírito Santo, 2024-02-15) Bigui, Walter Cesar Celeri; Soares, Lucas de Souza ; https://orcid.org/; http://lattes.cnpq.br/; Costa, Adilson Vidal ; https://orcid.org/; http://lattes.cnpq.br/; Co-orientador3; https://orcid.org/; http://lattes.cnpq.br/; Queiroz, Vagner Tebaldi de ; https://orcid.org/; http://lattes.cnpq.br/; Orientador2; https://orcid.org/; http://lattes.cnpq.br/; https://orcid.org/; http://lattes.cnpq.br/; Almeida, Luiz Cláudio de ; https://orcid.org/; http://lattes.cnpq.br/; Flores, Rafaela Venancio ; https://orcid.org/; http://lattes.cnpq.br/; 3º membro da banca; https://orcid.org/; http://lattes.cnpq.br/; 4º membro da banca; https://orcid.org/; http://lattes.cnpq.br/; 5º membro da banca; https://orcid.org/; http://lattes.cnpq.br/; 6º membro da banca; https://orcid.org/; http://lattes.cnpq.br/; 7º membro da banca; https://orcid.org/; http://lattes.cnpq.br/
Rhipicephalus microplus is responsible for significant damage to global livestock, and the control of this parasite faces barriers such as acaricide resistance. Citral (CIT) is a potential acaricide; however, due to characteristics such as low volatility and water dispersibility, its field application is limited. The objective of this study was to prepare, characterize, and evaluate, in vitro, the acaricidal activity of the complex containing citral and 2-hydroxypropyl-β-cyclodextrin on R. microplus larvae. The complex (CIHβCIT) by kneading and the physical mixture (MFHβCIT) were prepared in a stoichiometric ratio of 1:1, confirmed by the solubility diagram and the Job Plot method. The intermolecular interaction between CIT and HPβCD was indicated, suggesting complex formation, confirmed by FTIR-ATR, TGA/DTG, DSC, XRD, and SEM. The kneading preparation method produced CIHβCIT with high yield (90.60%), encapsulation efficiency (72.03%), and drug loading of 6.48%. These parameters were determined through UV-Vis spectroscopy. The LC50 values obtained by the larval packet test for CIT, CIHβCIT, and MFHβCIT were 0.66%, 1.13%, and 1.16% (w/v), respectively. The formation of CIHβCIT reduced the volatility of CIT, maintaining acaricidal activity (81.59%) over 48 hours, compared to free CIT (64.61%) and MFHβCIT (60.86%). Thus, the preparation of CIHβCIT through the kneading technique is capable of enhancing and ensuring the acaricidal activity of CIT for an extended period
Estudos por QSAR, docagem e dinâmica molecular de derivados de quinazolina tendo como alvo a proteína beta tubulina para o controle da fusariose
(Universidade Federal do Espírito Santo, 2024-02-16) Gasques, Larissa de Souza; Co-orientador1; https://orcid.org/; http://lattes.cnpq.br/; Co-orientador2; https://orcid.org/; http://lattes.cnpq.br/; Co-orientador3; https://orcid.org/; http://lattes.cnpq.br/; Orientador1; https://orcid.org/; http://lattes.cnpq.br/; Orientador2; https://orcid.org/; http://lattes.cnpq.br/; https://orcid.org/; http://lattes.cnpq.br/; 1º membro da banca; https://orcid.org/; http://lattes.cnpq.br/; 2º membro da banca; https://orcid.org/; http://lattes.cnpq.br/; 3º membro da banca; https://orcid.org/; http://lattes.cnpq.br/; 4º membro da banca; https://orcid.org/; http://lattes.cnpq.br/; 5º membro da banca; https://orcid.org/; http://lattes.cnpq.br/; 6º membro da banca; https://orcid.org/; http://lattes.cnpq.br/; 7º membro da banca; https://orcid.org/; http://lattes.cnpq.br/
Gibberellosis or ear fusariosis is a disease caused by phytopathogenic fungi such as Fusarium graminearum. Significant losses in agriculture and impacts on the global economy are evidenced by the disease, which is minimized by the use of commercial fungicides. In this scenario, it is important to create new fungicides that are more efficient and, preferably, less harmful to the environment. This work describes computational studies applied to a set of quinazoline-derived molecules that were synthesized and previously evaluated for their fungicidal activity against F. graminearum in the literature. The selected compounds served as prototypes for the construction of the 2D and 3D QSAR models (CoMFA and CoMSIA), where satisfactory results were obtained during validation. Topological descriptors (JGI1 and VE3_D) were able to predict the QSAR-2D model with q² = 0.743, r² = 0.797 and r²test = 0.764. In CoMFA, q² = 0.834, r² = 0.958, and r²test = 0.834 were obtained with the set of molecules loaded by the RESP HF 6-311G method. The best model in CoMSIA, on the other hand, was derived from atomic partial charges using the Gasteiger-Marsili empirical method, obtaining a q² = 0.956, r² = 0.987 and r²test = 0.858 using the electrostatic and hydrophobic descriptors. The QSAR models were used to predict the biological activity of triazole compounds from the library belonging to our research group. The derivatives that stood out at this stage were sent for molecular docking analysis, which revealed the intermolecular interactions at the compounds' binding sites and compared them with the fungicide carbendazim. This study revealed that compound T15 was favorable to toxicity tests by ProTox II, as well as by the QEPest program. Then, a 200 ns molecular dynamics simulation was carried out to evaluate the behavior and stability of compound T15 and to compare it with carbendazim. The analyses suggest that the triazole (a thymol derivative) was stable during the simulation, performing more intermolecular interactions at the β-tubulin active site than the commercial fungicide. MM/GBSA results predict that its binding free energy was -44 kcal/mol, while carbendazim -18 kcal/mol. The results reveal that T15 proved to have an ability to inhibit fusarium, since its interaction with the protein is stronger. Therefore, it can be concluded that the models built in this work were able to predict and identify a promising compound with optimal predicted biological activity
Polímero hidroretentor na produção e crescimento em campo de mudas de três espécies florestais nativas
(Universidade Federal do Espírito Santo, 2024-02-28) Angelos, Jacyelli Sgranci; Co-orientador1; https://orcid.org/; http://lattes.cnpq.br/; Co-orientador2; https://orcid.org/; http://lattes.cnpq.br/; Co-orientador3; https://orcid.org/; http://lattes.cnpq.br/; Orientador1; https://orcid.org/; http://lattes.cnpq.br/; Orientador2; https://orcid.org/; http://lattes.cnpq.br/; https://orcid.org/; http://lattes.cnpq.br/; 1º membro da banca; https://orcid.org/; http://lattes.cnpq.br/; 2º membro da banca; https://orcid.org/; http://lattes.cnpq.br/; 3º membro da banca; https://orcid.org/; http://lattes.cnpq.br/; 4º membro da banca; https://orcid.org/; http://lattes.cnpq.br/; 5º membro da banca; https://orcid.org/; http://lattes.cnpq.br/; 6º membro da banca; https://orcid.org/; http://lattes.cnpq.br/; 7º membro da banca; https://orcid.org/; http://lattes.cnpq.br/
The demand for reforestation is proportional to population growth and the use of areas for agricultural and industrial production. However, there are many obstacles encountered for reforestation to happen effectively. Among these obstacles is the use of water and the nutritional supply of planted forests. With the reduction of drinking water in the world, alternatives are needed to make the best use of water in the seedling production process. Given the statement that there are few works related to inputs that make better use of water, this dissertation was divided into two chapters, with the general objective of evaluating the influence of the use of water-retaining polymer on growth, leaf nutrition and morphology in seedling production. of 3 native forest species in the nursery phase and in the field. Chapter I aimed to verify the feasibility of using dry hydrogel, together with the substrate, in the production of seedlings of 3 forest species. Two treatments were evaluated, T1 (substrate without hydrogel) and T2 (substrate with hydrogel). A Randomized Block Design was adopted, with plots of 19 plants and 3 replications. Growth data in height and collar diameter were evaluated using regression analysis and other data were evaluated using mean test (ANOVA). The parameters determined were: chemical analysis of the substrate and leaves, height, stem diameter, dry biomass, leaf area, SPAD and Dickson quality index. For the species of Dalbergia nigra (Vell.) Fr. All. ex Benth, the presence of the hydrogel promoted a reduction in growth parameters. For the other species, Colubrina glandulosa (Perkins) and Samanea tubulosa (Bentham) Barneby Grimes, the hydrogel showed no disparity in statistical tests for all parameters, showing that its addition to the substrate did not provide better plant growth values. Chapter ll aimed to investigate the viability in the field of seedlings produced in a nursery using dry hydrogel on the substrate for the species of Dalbergia nigra (Vell.) Fr. All. ex Benth, Colubrina glandulosa (Perkins) and Samanea tubulosa (Bentham) Barneby Grimes. The treatments evaluated were respectively the same as those used in chapter 1, consisting of: T1 (seedlings produced without adding the hydrogel to the substrate) and T2 (seedlings produced with the addition of the hydrogel to the 13 substrate). The experiment was implemented in the experimental area of the Ifes Campus in Alegre and was carried out in a randomized block design containing 10 plants and 3 replications, where the efficiency and setting of seedlings in the field without the addition of irrigation were tested. The height and diameter of the seedlings were evaluated throughout the experiment. At the end of the study, the dry biomass of the root, stem, leaf and leaf area was measured. The data were processed and according to the results, seedlings with the presence of hydrogel showed a lower growth curve for both stem diameter and height. In general, there was no significant effect of the water-retaining polymer on obtaining biomass of the species analyzed, with the exception of the dry matter ratio of the aerial part and the root system, which showed that the hydrogel was harmful in obtaining this variable
Sintese de derivados triazólicos do adamantano com potencial atividade fungicida frente a Fusarium solani f. sp. Piperis
(Universidade Federal do Espírito Santo, 2024-04-01) Ferreira, Lara Chaves de Freitas; Co-orientador1; https://orcid.org/; http://lattes.cnpq.br/; Co-orientador2; https://orcid.org/; http://lattes.cnpq.br/; Co-orientador3; https://orcid.org/; http://lattes.cnpq.br/; Orientador1; https://orcid.org/; http://lattes.cnpq.br/; Orientador2; https://orcid.org/; http://lattes.cnpq.br/; https://orcid.org/; http://lattes.cnpq.br/; 1º membro da banca; https://orcid.org/; http://lattes.cnpq.br/; 2º membro da banca; https://orcid.org/; http://lattes.cnpq.br/; 3º membro da banca; https://orcid.org/; http://lattes.cnpq.br/; 4º membro da banca; https://orcid.org/; http://lattes.cnpq.br/; 5º membro da banca; https://orcid.org/; http://lattes.cnpq.br/; 6º membro da banca; https://orcid.org/; http://lattes.cnpq.br/; 7º membro da banca; https://orcid.org/; http://lattes.cnpq.br/
Black pepper is a spice widely used since antiquity and is considered a valuable product for the agribusiness industry. The state of Espírito Santo is the largest producer of black pepper in Brazil, thus holding significant importance in the national economic scenario. However, black pepper cultivars suffer from large-scale fungal infections, with Fusarium solani being one of the main contributors to the reduced lifespan of black pepper plants. In the quest for discovering new, more effective molecules against fungal diseases, understanding their modes of action is crucial. Commercially available agrochemicals can inhibit fungal growth by inhibiting the enzyme succinate dehydrogenase, which is vital for the electron transport chain. Compounds containing the 1,2,3-triazole or adamantane nucleus exhibit numerous biological activities, including antifungal properties. The 1,2,3- triazole ring is solely obtained through synthetic means, commonly synthesized via copper(I)-catalyzed azide-alkyne cycloaddition (CuAAC), following the "click chemistry" strategy. Accordingly, eight new adamantane-derived triazoles, 32a-c and 33a-e, were synthesized for evaluation of their activity against F. solani. Additionally, potential interactions of the new triazoles with the succinate dehydrogenase enzyme were assessed through molecular docking studies. The compounds interacted with the ubiquinone binding site of SDH through various hydrogen bonds, hydrophobic interactions, and π-stacking interactions, with 33e being the best compound in terms of interaction with the enzyme. It formed hydrogen bonds with the same amino acid residues as DNT, the original ligand of PBD 1NEN. The structures of the triazoles have been elucidated so far by 1H, 13C NMR, HSQC, HMBC, COSY, and Infrared spectroscopy, and subsequent mass spectrometry analyses will be conducted
Síntese e caracterização de novos híbridos derivados do timol e 1,2,3-triazóis com potencial aplicação no controle da antracnose do mamoeiro
(Universidade Federal do Espírito Santo, 2024-02-20) Oliveira, Mariana Belizario de; Co-orientador1; https://orcid.org/; http://lattes.cnpq.br/; Co-orientador2; https://orcid.org/; http://lattes.cnpq.br/; Co-orientador3; https://orcid.org/; http://lattes.cnpq.br/; Orientador1; https://orcid.org/; http://lattes.cnpq.br/; Orientador2; https://orcid.org/; http://lattes.cnpq.br/; https://orcid.org/; http://lattes.cnpq.br/; 1º membro da banca; https://orcid.org/; http://lattes.cnpq.br/; 2º membro da banca; https://orcid.org/; http://lattes.cnpq.br/; 3º membro da banca; https://orcid.org/; http://lattes.cnpq.br/; 4º membro da banca; https://orcid.org/; http://lattes.cnpq.br/; 5º membro da banca; https://orcid.org/; http://lattes.cnpq.br/; 6º membro da banca; https://orcid.org/; http://lattes.cnpq.br/; 7º membro da banca; https://orcid.org/; http://lattes.cnpq.br/
The agricultural environment is frequently affected by phytopathogens which threaten global food security and the economic sector. In Espírito Santo, the papaya crop, responsible for a large part of the state's income, is severely damaged by anthracnose, a post-harvest fungal disease, caused by Colletotrichum gloeosporioides. 1,2,3- triazoles, aromatic nitrogen heterocycles, are already a widely used class of antifungals, showing promise against resistant strains of fungi, due to their different bioactivities and various applications. The aim of the present work is to synthesize and evaluate the antifungal activity against C. gloeosporioides of twenty new compounds containing 1,2,3-triazole moiety (10a-10t), obtained through the click chemistry type reaction and using thymol, as starting material. The synthetic route employed was simple and easy to execute, developed in just three steps. The first step involved the reaction between thymol and (±)-epichlorohydrin, leading to the formation of (±)-2-((2- isopropyl-5-methylphenoxy)methyl)oxirane (1) with a 65% yield. The subsequent step resulted in the formation of (±)-2-(2-isopropyl-5-methylphenoxy)-1-azido-3-propan-2-ol (2), with a 94% yield, from the reaction between (1) and sodium azide in the presence of ammonium chloride. In the third and final step, the click reaction between different terminal alkynes and (2) led to the formation of twenty new 1,2,3-triazole-1,4- disubstituted compounds (10a-10t), with yields ranging from 50% to 80%, using CuSO4.5H2O as a pre-catalyst. The chemical structures of the compounds were elucidated using Infrared, Mass, and Nuclear Magnetic Resonance spectroscopy techniques. In the future, all synthesized compounds will be subjected to biological assays to evaluate their fungicidal activity against C. gloeosporioides, responsible for causing significant damage to papaya, an important crop in Espírito Santo

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