Efeito da corrente interferencial (CI) associada ao exercício físico na fibromialgia (FM): aspectos psicossomáticos e qualidade de vida

São Cristóvão, S

Análise térmica de pastas a base de cal hidratada com utilização de cinza do bagaço de cana-de-açúcar

O Brasil e a Índia respondem em conjunto por mais da metade da produção mundial da cana-de açúcar. Durante o beneficiamento da cana, gera-se a cinza do bagaço, um dos principais resíduos desse processo. Usualmente, a cinza do bagaço é descartada na natureza podendo gerar sérios problemas ambientais. Esta cinza, devido a sua composição química, contém grande quantidade de SiO2 a qual apresentam potencial para ser utilizada como material pozolânico na construção civil visando a produção de argamassas. Entre os materiais aglomerantes utilizados para produção de argamassas, o cimento Portland é o mais utilizado. Entretanto, devido os impactos ambientais ocasionados durante sua produção, torna-se de extrema importância pesquisas a fim de encontrar um substituto com menor impacto ambiental. Entre estes, foca-se no uso da cal hidratada, um aglomerante com potencialidade de captura de CO2. Ante o exposto, esta pesquisa objetivou analisar termicamente pastas a base de cal hidratada com utilização de cinza do bagaço de cana-de-açúcar (CBC). Foram escolhidas pastas utilizando a cinza do bagaço como substituto parcial da cal hidratada, nos teores de 5, 10 e 15%, considerando o fator água/material aglomerante que resultasse no mesmo índice de consistência. Para a caracterização térmica das amostras, realizou-se ensaios de termogravimetria, termogravimetria derivativa e calorimetria isotérmica. Os ensaios de termogravimetria e termogravimetria derivativa possibilitaram calcular a perda de massa dos hidróxidos e carbonatos. Os resultados indicaram que a medida que se elevou a porcentagem de substituição de CBC na amostra, ocorreu à diminuição dos hidróxidos e aumento dos carbonatos, trazendo como consequência a diminuição da alcalinidade das argamassas. Conclui-se que é possível utilizar-se da CBC, resíduo agroindustrial, como substituto parcial na fabricação de pastas a base de cal hidratada

Modern approaches to accelerate discovery of new antischistosomal drugs

INTRODUCTION: The almost exclusive use of only praziquantel for the treatment of schistosomiasis has raised concerns about the possible emergence of drug-resistant schistosomes. Consequently, there is an urgent need for new antischistosomal drugs. The identification of leads and the generation of high quality data are crucial steps in the early stages of schistosome drug discovery projects. AREAS COVERED: Herein, the authors focus on the current developments in antischistosomal lead discovery, specifically referring to the use of automated in vitro target-based and whole-organism screens and virtual screening of chemical databases. They highlight the strengths and pitfalls of each of the above-mentioned approaches, and suggest possible roadmaps towards the integration of several strategies, which may contribute for optimizing research outputs and led to more successful and cost-effective drug discovery endeavors. EXPERT OPINION: Increasing partnerships and access to funding for drug discovery have strengthened the battle against schistosomiasis in recent years. However, the authors believe this battle also includes innovative strategies to overcome scientific challenges. In this context, significant advances of in vitro screening as well as computer-aided drug discovery have contributed to increase the success rate and reduce the costs of drug discovery campaigns. Although some of these approaches were already used in current antischistosomal lead discovery pipelines, the integration of these strategies in a solid workflow should allow the production of new treatments for schistosomiasis in the near future

Whole genome sequencing identifies novel mutations in malaria parasites resistant to artesunate (ATN) and to ATN + mefloquine combination

Funding Information: The author(s) declare that financial support was received for the research, authorship, and/or publication of this article. The authors would like to acknowledge i. the Portuguese “Fundação para a Ciência e Tecnologia (FCT)” for funds to GHTM – UID/Multi/04413/2020, LA-REAL-LA/P/0117/2020 and for funds to Pedro Ferreira`s project ref. PTDC/SAU-PAR/2766/2021 and ii. the Brazilian funding agencies, CNPq, CAPES, FAPEG, FUNADESP. Carolina Horta Andrade thanks CNPq BRICS STI COVID-19 (grant 441038/2020-4) and FAPEG (grant 202010267000272). Melina Mottin thanks the financial support from CNPq/FAPEG DCR (grant 300508/2017-4). Funding Information: The author(s) declare that financial support was received for the research, authorship, and/or publication of this article. The authors would like to acknowledge i. the Portuguese “Fundação para a Ciência e Tecnologia (FCT)” for funds to GHTM – UID/Multi/04413/2020, LA-REAL-LA/P/0117/2020 and for funds to Pedro Ferreira`s project ref. PTDC/SAU-PAR/2766/2021 and ii. the Brazilian funding agencies, CNPq, CAPES, FAPEG, FUNADESP. Carolina Horta Andrade thanks CNPq BRICS STI COVID-19 (grant 441038/2020-4) and FAPEG (grant 202010267000272). Melina Mottin thanks the financial support from CNPq/FAPEG DCR (grant 300508/2017-4). Acknowledgments Publisher Copyright: Copyright © 2024 Cassiano, Martinelli, Mottin, Neves, Andrade, Ferreira and Cravo.Introduction: The global evolution of resistance to Artemisinin-based Combination Therapies (ACTs) by malaria parasites, will severely undermine our ability to control this devastating disease. Methods: Here, we have used whole genome sequencing to characterize the genetic variation in the experimentally evolved Plasmodium chabaudi parasite clone AS-ATNMF1, which is resistant to artesunate + mefloquine. Results and discussion: Five novel single nucleotide polymorphisms (SNPs) were identified, one of which was a previously undescribed E738K mutation in a 26S proteasome subunit that was selected for under artesunate pressure (in AS-ATN) and retained in AS-ATNMF1. The wild type and mutated three-dimensional (3D) structure models and molecular dynamics simulations of the P. falciparum 26S proteasome subunit Rpn2 suggested that the E738K mutation could change the toroidal proteasome/cyclosome domain organization and change the recognition of ubiquitinated proteins. The mutation in the 26S proteasome subunit may therefore contribute to altering oxidation-dependent ubiquitination of the MDR-1 and/or K13 proteins and/or other targets, resulting in changes in protein turnover. In light of the alarming increase in resistance to artemisin derivatives and ACT partner drugs in natural parasite populations, our results shed new light on the biology of resistance and provide information on novel molecular markers of resistance that may be tested (and potentially validated) in the field.publishersversionpublishe

Parâmetros morfofisiológicos e de desenvolvimento de variedades de milho

Knowing the characteristics of maize varieties becomes a strategy for an adequate crop planning, in order to extract the maximum agronomic power of each variety. The objective of this work is to know the morphophysiological and developmental parameters of maize varieties. The experiment was conducted in August 2021, in Faculdades Integradas Stella Maris (FISMA), located in the Municipality of Andradina, State of São Paulo. The design was entirely randomized, where six maize varieties were grown: XB 8010; AG 1051; Cateto Paraguay; Sweet Maize (Paraguay Soup); White Maize and Asteca Mole and with four repetitions, totaling 20 plots or pots. The hybrid varieties showed better development characteristics. The criolla variety Asteca Mole presented lower developmental characteristics. Stomatal density and functionality were expressed in an antagonistic way. Maize varieties did not present differences in internal morphology in the leaves. Correlations were found between the morphophysiological and developmental parameters in the maize varieties.Conhecer as características de variedades de milho torna uma estratégia para o um planejamento de adequado de safra, a fim de extrair o máximo do poder agronômica de cada variedade. O objetivo desse trabalho é conhecer os parâmetros morfofisiológicos e de desenvolvimento de variedades de milho. O experimento foi realizado em agosto de 2021, nas Faculdades Integradas Stella Maris (FISMA), localizada no Município de Andradina, Estado de São Paulo. O delineamento foi inteiramente casualizado, onde foram cultivadas seis variedades de milho: XB 8010; AG 1051; Cateto Paraguai; Milho Doce (Sopa Paraguai); Milho Branco e Asteca Mole e com quatro repetições, totalizando 20 parcelas ou vasos. As variedades híbridas apresentam melhores características de desenvolvimento. A variedade crioula Asteca Mole apresentou menores características de desenvolvimento. A densidade e funcionalidade estomática se expressaram de maneira antagônica. As variedades de milho não apresentaram diferenças na morfologia interna nas folhas. Foram encontradas correlações entre os parâmetros morfofisiológicos com os de desenvolvimento nas variedades de milho

In silico Strategies to Support Fragment-to-Lead Optimization in Drug Discovery.

Fragment-based drug (or lead) discovery (FBDD or FBLD) has developed in the last two decades to become a successful key technology in the pharmaceutical industry for early stage drug discovery and development. The FBDD strategy consists of screening low molecular weight compounds against macromolecular targets (usually proteins) of clinical relevance. These small molecular fragments can bind at one or more sites on the target and act as starting points for the development of lead compounds. In developing the fragments attractive features that can translate into compounds with favorable physical, pharmacokinetics and toxicity (ADMET-absorption, distribution, metabolism, excretion, and toxicity) properties can be integrated. Structure-enabled fragment screening campaigns use a combination of screening by a range of biophysical techniques, such as differential scanning fluorimetry, surface plasmon resonance, and thermophoresis, followed by structural characterization of fragment binding using NMR or X-ray crystallography. Structural characterization is also used in subsequent analysis for growing fragments of selected screening hits. The latest iteration of the FBDD workflow employs a high-throughput methodology of massively parallel screening by X-ray crystallography of individually soaked fragments. In this review we will outline the FBDD strategies and explore a variety of in silico approaches to support the follow-up fragment-to-lead optimization of either: growing, linking, and merging. These fragment expansion strategies include hot spot analysis, druggability prediction, SAR (structure-activity relationships) by catalog methods, application of machine learning/deep learning models for virtual screening and several de novo design methods for proposing synthesizable new compounds. Finally, we will highlight recent case studies in fragment-based drug discovery where in silico methods have successfully contributed to the development of lead compounds

Computer-aided discovery of two novel chalcone-like compounds active and selective against Leishmania infantum

Leishmaniasis are infectious diseases caused by parasites of genus Leishmania that affect affects 12 million people in 98 countries mainly in Africa, Asia, and Latin America. Effective treatments for this disease are urgently needed. In this study, we present a computer-aided approach to investigate a set of 32 recently synthesized chalcone and chalcone-like compounds to act as antileishmanial agents. As a result, nine most promising compounds and three potentially inactive compounds were experimentally evaluated against Leishmania infantum amastigotes and mammalian cells. Four compounds exhibited EC50 in the range of 6.2-10.98μM. In addition, two compounds, LabMol-65 and LabMol-73, exhibited cytotoxicity in macrophages >50μM that resulted in better selectivity compared to standard drug amphotericin B. These two compounds also demonstrated low cytotoxicity and high selectivity towards Vero cells. The results of target fishing followed by homology modeling and docking studies suggest that these chalcone compounds could act in Leishmania because of their interaction with cysteine proteases, such as procathepsin L. Finally, we have provided structural recommendations for designing new antileishmanial chalcones

Computational drug discovery for the Zika virus

Few Zika virus (ZIKV) outbreaks had been reported since its first detection in 1947, until the recent epidemics occurred in South America (2014/2015) and expeditiously became a global public health emergency. This arbovirus reached 0.5-1.3 million cases of ZIKV infection in Brazil in 2015 and rapidly spread in new geographic areas such as the Americas. Despite the mild symptoms of the Zika fever, the major concern is related to the related severe neurological disorders, especially microcephaly in newborns. Advances in ZIKV drug discovery have been made recently and constitute promising approaches to ZIKV treatment. In this review, we summarize current computational drug discovery efforts and their applicability to discovery of anti-ZIKV drugs. Lastly, we present successful examples of the use of computational approaches to ZIKV drug discovery

Ultrasound-guided antecubital vein approach for right heart catheterisation in a Brazilian tertiary centre

Objective As a parallel to the radial approach for left heart catheterisation, forearm veins may be considered for the performance of right heart catheterisation. However, data regarding the application of this technique under ultrasound guidance are scarce. The current study aims to demonstrate the feasibility of right heart catheterisation through ultrasound-guided antecubital venous approach in the highly heterogeneous population usually referred for right heart catheterisation. Methods Data from consecutive right heart catheterisations performed at an academic centre in Brazil, between January 2016 and March 2017 were prospectively collected. Results Among 152 performed right heart catheterisations, ultrasound-guided antecubital venous approach was attempted in 127 (84%) cases and it was made feasible in 92.1% of those. Yet, there was no immediate vascular complication with the antecubital venous approach in this prospective series. Conclusions Ultrasound-guided antecubital venous approach for the performance of right heart catheterisation was feasible in the vast majority of cases in our study, without occurrence of vascular complications

Plataforma Meteorológica em Arduino para Monitoramento de Dióxido de Carbono e Monóxido de Carbono Assistidos de Parâmetros Meteorológicos

The use of technologies to monitor air quality has become a necessity in view of the various harms to the balance of the atmosphere, as well as the people living in their communities. Monitoring platforms are important due to real time data acquisition and the possibility of storing and manipulating the information received, the use of Arduino systems is justified by their various qualities of hardware and software adaptation. Carbon dioxide, sulfur dioxide and carbon monoxide gases are important parameters in the verification of various imbalance factors in the atmosphere. Reliable monitoring equipment is required to acquire data for control. The use of a weather station in conjunction with an Arduino system platform is the purpose of this project in the comparison of sensor data, due to scientific applications concerning the atmosphere and air quality that the population breathes and the ecological factors that these gases promote, as well as analyzed the possibility of operation with photovoltaic panel and to be sustainable in the energy matter. The project's main objective was the construction of a viable platform for monitoring the concentration of the mentioned gases, which was autonomous and capable of storing the data for further analysis.O emprego de tecnologias para monitoramento da qualidade do ar tem se tornado uma necessidade frente aos diversos malefícios ao equilíbrio da atmosfera, bem como das pessoas que vivem em suas comunidades. As plataformas de monitoramento são importantes devido a aquisição de dados em tempo real e a possibilidade do armazenamento e manipulação das informações recebidas, a utilização dos sistemas Arduino é justificável pelas suas diversas qualidades de adaptação de hardware e software. Os gases de Dióxido de Carbono, Dióxido de Enxofre e monóxido de Carbono são parâmetros importantes na verificação de vários fatores de desiquilíbrio na atmosfera. Equipamentos confiáveis de monitoramento se faz necessário para que se adquira dados para controle. A utilização de uma Estação Meteorológica em conjunto com uma plataforma de sistemas Arduino é o intuito deste projeto na comparação dos dados dos sensores, devido as aplicações cientificas concernentes a atmosfera e a qualidade do ar que a população respira e aos fatores ecológicos que esses gases promovem. O projeto teve objetivo principal a construção de uma plataforma viável para monitoramento de concentração dos gases citados e que fosse autônoma e capaz de guardar os dados para geração de analises posteriores