Navegando por Assunto "SARS-CoV-2"
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Item Acesso aberto (Open Access) Extração de compostos bioativos de folhas de croton matourensis Aubl. com CO2 Supercrítico: determinação da composição química, atividade antioxidante e atividade biológica(Universidade Federal do Pará, 2022-05-06) BEZERRA, Fernanda Wariss Figueiredo Bezerra; CARVALHO JÚNIOR, Raul Nunes de; http://lattes.cnpq.br/5544305606838748; https://orcid.org/0000-0002-2324-6287The Croton matourensis species has health benefits, due to its composition, which has a high concentration of bioactive compounds such as phenolic compounds, terpenes, phenolic acids and phenylpropanoids. The most used method to obtain its extracts is hydrodistillation, however the extraction with supercritical carbon dioxide (SC-CO2) is an environmentally friendly method, with high selectivity and capable of obtaining extracts with a high concentration of larixol, an oxygenated diterpene of high economic value and with several biological activities. In this context, the present thesis aimed to use supercritical technology to obtain extracts from leaves of C. matourensis with a high concentration of larixol and to evaluate its potential anti-inflammatory, neuroprotective and antiviral activity against the COVID-19 virus. For this, in the first stage of the thesis, the extraction of C. matourensis leaves with SC-CO2 was carried out under different conditions of temperature (40 and 50 °C) and pressure (100 to 400 bar), the supercritical extraction was compared with hydrodistillation (HD) and hexane extraction (HE) through the evaluation of the mass yield, chemical composition and antioxidant activity of the extracts, then the experimental model of focal ischemia in the motor cortex of rats was carried out using the extract obtained in the best operating condition with SC-CO2. The highest yields were obtained in HE (5.73 ± 0.26%) and in the condition at 50°C/400 bar (5.60 ± 0.06%), which were statistically equal (p > 0.05), the supercritical condition was more advantageous in obtaining larixol (48.49%) compared to HE (2.93%). The extracts obtained by the different methods showed a high value of total phenolic compounds (51.81 ± 2.03 to 79.53 ± 1.19 mgGAE/g of extract), total flavonoids (2.50 ± 0.20 - 6.89 ± 0.45 mgQE/g of extract) and antioxidant activity with maximum inhibition percentage equal to 83.26 ± 0.58% at a concentration of 14 mg/mL. The focal cerebral ischemia study revealed that the animals treated with the C. matourensis extract showed a greater reduction in the lesion area than those treated with the control solution (Tween 5%), suggesting its potential anti-inflammatory and neuroprotective effect. In the second stage of the thesis, an in silico study was carried out to evaluate the interactions between the larixol ligand and four SARS-CoV-2 receptors. The molecular docking results showed that the mode of interaction played a fundamental role in the interaction with larixol, mainly in the interaction with Spike- protease. The study showed through the affinity energy that the ligand had stable conformations, forming a stable complex with the receptors, conforming to the catalytic site of the receptors. Molecular docking, molecular dynamics and Gibbs free energy data showed that larixol can bind to the binding compartment of receptors, evidencing its potential role as an antiviral agent or agent used in conjunction with other therapies that provide a line of defense against diseases associated with the coronavirus. Thus, the thesis showed that the extract of C. matourensis leaves obtained with SC-CO2 showed a high concentration of larixol, with potential anti-inflammatory, neuroprotective and antiviral activities, presenting potential to be applied as an input in the food, cosmetic and pharmaceutical industries.Item Acesso aberto (Open Access) Impacto da pandemia da COVID-19 no rastreamento, diagnóstico e tratamento do câncer de mama em mulheres a partir de 50 anos, no estado do Pará(Universidade Federal do Pará, 2023-08-10) DIAS, Paula Danniele dos Santos; SANTANA, Mary Elizabeth de; http://lattes.cnpq.br/6616236152960399; https://orcid.org/0000-0002-3629-8932Breast cancer is the second most common in the world and the most common among women. Early diagnosis and treatment estimate a good prognosis for the disease. After the pandemic was declared by the World Health Organization (WHO), States had to adopt restrictive measures to contain the spread of the disease. Brazil was one of the four countries with the highest number of confirmed Covid-19 infections, with high transmissibility rates causing a collapse in health services. As a result, the maintenance and regular treatment of several diseases, including breast cancer, were affected. Objective: to analyze whether the Covid-19 pandemic affected the screening, diagnosis and treatment of breast cancer, in women aged 50 and over, in the State of Pará. Method: The study was retrospective, cross-sectional, with a quantitative approach, using secondary data obtained from the Information Technology Department of the Unified Health System (DATASUS). An analysis was carried out of the number of exams carried out in the post-pandemic (2018-2019) and pandemic (2020-2021) period based on the percentage variation, and application of the chi-square test and G test for the time taken to perform exams and time to start treatment. Results: During the pandemic period, a greater number of screening mammograms (+3.68%), cytological (+23.68%), histological (+10.7%) and a lower number of diagnostic mammograms (-38.7%) were observed %). The time interval for carrying out the exams was up to 30 days for screening and diagnostic exams during the pandemic period. The observed time to start treatment was greater than 60 days, with a greater number of cases treated during the pandemic period. Conclusion: the study points out that statistically the Covid-19 pandemic did not interfere with the screening, diagnosis and treatment of breast cancer, in women over 50 years old, in the State of Pará. The effects of Covid-19 will only possibly be observed at long-term, therefore, studies should be carried out that permeate the development of strategies that prepare health services for a future state of health emergency, to mitigate greater impacts on the health of the population.Item Acesso aberto (Open Access) Interações com nanotubos de carbono e pontos quânticos de óxido de grafeno com estruturas externas do Sars-cov-2 via simulações de dinâmica e docagem molecular(Universidade Federal do Pará, 2023-06-02) LOBATO, Júlio César Mendes; OLIVEIRA, Mozaniel Santana de; http://lattes.cnpq.br/0810227136654245; https://orcid.org/0000-0002-4076-2443; CHAVES NETO, Antonio Maia de Jesus; Lattes: 3507474637884699The interaction between nanoparticles and SARS-CoV-2 virus proteins was evaluated using ligands such as single-walled carbon nanotubes (NTCPUs) and receptors including envelope protein (E-pro), major protease (M-pro) and Spike glycoprotein (Sgly). Molecular docking modeling and molecular dynamics techniques were applied. Molecular dynamics revealed root mean square shift of atomic positions ranging from 0.5Å to 3.0Å. The results indicated that the zigzag nanotube showed better affinity energy, with binding free energy values of -9.48, -9.98 and -10.08 kcal/mol for E-pro, M-pro and S-gly, respectively. Furthermore, the mean square deviation of the atomic positions remained more stable for this type of nanotube, indicating a high probability of binding to the active sites of the macromolecules. Molecular couplings and binding free energy showed strong interaction between NTCPUs and residues of the S-gly active site, with values of -112.73, -94.38 and -80.49 kcal/mol for zigzag, chiral and armchair ligands, respectively. In a second step, five graphene oxide (GO) quantum dots smaller than 20 nm were used as ligands, interacting only with the spike receptors of three different strains: S-GLY-OMICRON, S-GLY-KAPPA and S-GLY-DELTA. Comparing the two ligands, it was observed that the S-GLY-OMICRON/OG-E interaction showed better affinity with Gibbs free energy of 172.2510 KJ/mol, compared to the better affinity of carbon nanotubes, S-gly/zig-zag, with ΔG of -112.73 KJ/mol. The eight proposed ligands have a high probability of binding to the active sites of the macrostructures. In conclusion, both carbon nanotubes and OG showed promise for application in SARS-CoV-2 inhibitor products, such as the development of materials for the manufacture of personal protective equipment, sprays and waterproofing solutions in general.Item Acesso aberto (Open Access) Interações de carvão ativado, fármacos e libidibia ferrea contra o vírus SARS-COV-2(Universidade Federal do Pará, 2021-08-25) ARAÚJO, Herica Daniele Costa; CHAVES NETO, Antonio Maia de Jesus; http://lattes.cnpq.br/3507474637884699; https://orcid.org/0000-0002-9730-3512The high rates of infection and mortality from Severe Acute Respiratory Syndrome (SARS-CoV-2) or COVID-19 infection has caused severe socio-economic impacts worldwide. Transmission basically occurs through contact with bodily fluids. In the airways, by spraying droplets and/or aerosols suspended in the environment and/or deposited on surfaces. The effectiveness of using effective masks to contain contagion is a necessity. The present work evaluated the adsorption capacity of filters containing activated carbon and modified activated carbon during nanofiltration in masks with greater efficiency. The possible interactions between Spike (S) and membrane (M) proteins with activated carbon oxygen non-modified and activated carbon oxygen modified were evaluated by docking and molecular dynamics. Autodock Vina 4.2.6 and AMBER 16 software were used in the simulations. Results of the formed ligand-receptor complexes had the affinity energy, the root mean-square deviation (RMSD) and the Gibbs free energy of binding evaluated. Activated carbon oxygen modified showed greater spontaneity in protein interactions. And, another front to combat the coronavirus was addressed in this work: the treatment of the infected, as evaluations of the inhibitory action of the active principles of retroviral drugs known in the literature, as well as new compounds from the Brazilian Amazon flora were docked with proteins S, M and envelope (E). Three drugs (Colchicine, Nafamostat and Selinexor) and three compounds originated from Libidibia ferrea or Caesalpinia ferrea (Elagic Acid, Pauferrol A and Sitosterol) interacted as ligands. And, after docking, the most favorable affinity energies of the active sites established between ligands and receptors were graphically demonstrated. The docking was carried out through the SwissDock server. The interactions of the ligands Pauferrol A and Colchicine on the proteins contained in the viral surface were highlighted.Item Acesso aberto (Open Access) Interações de ftalocianinas de Co, Cu e não metálicas com estruturas externas de SARS-CoV-2 utilizando docking e dinâmica molecular(Universidade Federal do Pará, 2021-12-22) ALENCAR, Wilson Luna Machado; CHAVES NETO, Antonio Maia de Jesus; http://lattes.cnpq.br/3507474637884699; https://orcid.org/0000-0002-9730-3512