Computational Profiling of Monoterpenoid Phytochemicals: Insights for Medicinal Chemistry and Drug Design Strategies.

Monoterpenoids are a structurally diverse class of natural products with a long-standing history of therapeutic use. Despite their promising bioactivities, their clinical development has been limited by dose-dependent toxicities, poor pharmacokinetics, and suboptimal drug-like properties. In this work, a comprehensive in silico pipeline was employed to evaluate 1175 monoterpenoid compounds retrieved from ChEBI, aiming to identify structurally diverse candidates that possess favorable drug-like characteristics.

Integrated computational pipeline for advanced sampling-based investigation and alternative inhibition of the programmed cell death protein I pathway.

Cancer represents a major public health challenge, demanding the continuous search for therapeutic strategies. The PD-1/PD-L1 pathway is crucial in tumor immune evasion, and its inhibition imposes difficulties such as antibody-related adverse effects and reduced affinity of small molecules to these checkpoint proteins. Previously, we uncovered a novel binding site within the C'D loop of PD-1.

Is the Unified Protocol for Children Effective for the Transdiagnostic Treatment of Children's Emotional Disorders? A Randomized Controlled Trial.

The Unified Protocol for Transdiagnostic Treatment of Emotional Disorders in Children (UP-C) aims to reduce internalizing symptoms in children by addressing fundamental mechanisms that underlie emotional disorders through a combination of cognitive, emotional, and behavioral strategies. This study, the largest randomized controlled trial (RCT) to date of UP-C efficacy and the first one conducted outside the U.S.

eBEfree: Combining Psychoeducation, Mindfulness, and Self-Compassion in an App-Based Psychological Intervention to Manage Binge-Eating Symptoms: A Randomized Controlled Trial.

Objective: To develop and test the effectiveness of the eBEfree program, a 12-session app-based version of a previously tested psychological intervention (BEfree) that combines psycho-education, self-compassion, mindfulness, and Acceptance and Commitment Therapy to reduce binge-eating symptoms.

Method: Two-hundred participants with recurrent elevated binge-eating symptoms and a higher body weight were enrolled in a remote parallel-group randomized trial, of which 142 completed the initial assessment (70 in the intervention group). The end-of-treatment and follow-up assessments were conducted 12 weeks after the initial assessment and 26 weeks after the end of treatment, respectively.

A framework to identify opportunities to address socioscientific issues in the elementary school curricula: A case study from England, Italy, and Portugal.

Scientific literacy is crucial to address important and complex societal problems, both current and future. Teaching using a socioscientific issues (SSI) approach is a potential strategy to develop students' scientific literacy, although teachers have reported concerns about its implementation, such as the inability to add additional distinct requirements to already demanding curricula. To facilitate this task, we describe the development of a valid and reliable instrument for curricula analysis, called "Framework for Identifying Opportunities to implement an SSI approach in science school curricula" (FIOSSI), and use it to identify opportunities to implement the SSI approach in the elementary school science curriculum of three European countries (England, Italy and Portugal).

The territorialization of Severe Acute Respiratory Syndrome and its socioeconomic, demographic and public health policy risk factors in Belém, state of Pará, Eastern Amazon, Brazil: a cross-sectional and ecological study.

Severe Acute Respiratory Syndrome is an important public health problem in Brazil due to the large number of cases. It has a high mortality rate related to risk factors that include systemic arterial hypertension, type 2 diabetes mellitus, male gender and advanced age. This cross-sectional and ecological study analyzed the spatial distribution of this disease related to the evolution of COVID-19 cases and their epidemiological, demographic, socioeconomic and public health policy conditions in the administrative districts of Belém, state of Pará, in the eastern Brazilian Amazon, from 2021 to 2023.

A novel galectin with triple carbohydrate recognition domain in the parotoid secretion of Rhinella diptycha.

Galectins are a family of animal lectins involved in cell adhesion, tumor differentiation, and apoptosis that can bind reversibly to carbohydrates with a high affinity for β-galactosides. Thus far, however, the primary structure and solved three-dimensional structure have been described for only a few amphibian galectins. Therefore, this work aimed to identify and structurally characterize the galectin (RdG) present in the secretion of the parotid gland of R.

Molecular and Immunological Properties of a Chimeric Glycosyl Hydrolase 18 Based on Immunoinformatics Approaches: A Design of a New Anti- Vaccine.

Leishmaniasis is a chronic inflammatory zoonotic illness caused by protozoan flagellates belonging to the genus. Current data suggest that over 1 billion people worldwide are susceptible to infection, primarily in tropical and subtropical countries, where up to 2 million new cases are reported annually. Therefore, the development of a vaccine is crucial to combating this disease.

Efficacy and cost-effectiveness of an ACT and compassion-based intervention for women with breast cancer: study protocol of two randomised controlled trials {1}.

Background: Breast cancer is the most diagnosed cancer in women worldwide and carries a considerable psychosocial burden. Interventions based on Acceptance and Commitment Therapy (ACT) and compassion-based approaches show promise in improving adjustment and quality of life in people with cancer. The Mind programme is an integrative ACT and compassion-based intervention tailored for women with breast cancer, which aims to prepare women for survivorship by promoting psychological flexibility and self-compassion.

APAtizer: a tool for alternative polyadenylation analysis of RNA-Seq data.

Summary: APAtizer is a tool designed to analyze alternative polyadenylation events on RNA-sequencing data. The tool handles different file formats, including BAM, htseq, and DaPars bedGraph files. It provides a user-friendly interface that allows users to generate informative visualizations, including Volcano plots, heatmaps, and gene lists.

Analysis of metabolites associated with ADIPOQ genotypes in individuals with type 2 diabetes mellitus.

Diabetes mellitus (DM) is a significant public health problem and it is known that the identification of molecular markers involved in glycemic control can impact disease control. Although the rs266729 polymorphism located in the promoter of the adiponectin gene (ADP) has been shown to be a candidate for involvement in glycemic control, the genotypic groups have never been characterized in terms of metabolomic aspects. Objective: Analyze the metabolites present in the rs266729 genotype groups.

Unravelling the role of proline in glyphosate-mediated toxicity - tolerance mechanism or stress signal?

Glyphosate (GLY), the most widely used herbicide, has been regarded as an emergent environmental contaminant due to its constant and cumulative use, with potential harm to non-target organisms, such as crops, disrupting cells' redox balance. Therefore, plants need to fine-tune their antioxidant (AOX) mechanisms to thrive under GLY-contaminated environments. Proline overaccumulation is a common response in plants exposed to GLY, yet its role in GLY-induced toxicity remains unclear.

Development and Manufacturing of a Fibre Reinforced Thermoplastic Composite Spar Produced by Oven Vacuum Bagging.

The limited recyclability of fibre-reinforced thermoset composites has fostered the development of alternative thermoplastic-based composites and their manufacturing processes. The most common thermoplastic-based composites are often costly due to their availability in the form of prepreg materials and to the high pressure and temperatures required for their manufacturing. Yet, the manufacturing of economic and recyclable composites, made of semi-preg composite materials using traditional composite manufacturing technologies, has only been proved at a laboratory scale through the manufacturing of flat plates.

The ectomycorrhizal fungus Paxillus involutus positively modulates Castanea sativa Miller (var. Marsol) responses to heat and drought co-exposure.

Castanea sativa Miller, a high-valuable crop for Mediterranean countries, is facing frequent and prolonged periods of heat and drought, severely affecting chestnut production. Aiming to tackle this problem, this study unraveled the influence of mycorrhizal association with the fungi Paxillus involutus (Batsch) on young chestnut plants' responses to combined heat (42 °C; 4 h/day) and drought (no irrigation until soil moisture reached 25%) over 21 days of stress exposure. Heat stress had no harmful effects on growth, photosynthesis, nor induced oxidative stress in either mycorrhizal (MR) or non-mycorrhizal (NMR) chestnut plants.

Enhancing tomato plants' tolerance to combined heat and salt stress - The role of arbuscular mycorrhizae and biochar.

The Mediterranean basin is highly susceptible to climate change, with soil salinization and the increase in average temperatures being two of the main factors affecting crop productivity in this region. Following our previous studies on describing the detrimental effects of heat and salt stress co-exposure on tomato plants, this study aimed to understand if substrate supplementation with a combination of arbuscular mycorrhizal fungi (AMF) and biochar could mitigate the negative consequences of these stresses. Upon 21 days of exposure, stressed tomato plants grown under supplemented substrates showed increased tolerance to heat (42 °C for 4 h/day), salt (100 mM NaCl), and their combination, presenting increased biomass and flowering rate.

Chitosan Coating as a Strategy to Increase Postemergent Herbicidal Efficiency and Alter the Interaction of Nanoatrazine with Plants.

The atrazine nanodelivery system, composed of poly(ε-caprolactone) (PCL+ATZ) nanocapsules (NCs), has demonstrated efficient delivery of the active ingredient to target plants in previous studies, leading to greater herbicide effectiveness than conventional formulations. Established nanosystems can be enhanced or modified to generate new biological activity patterns. Therefore, this study aimed to evaluate the effect of chitosan coating of PCL+ATZ NCs on herbicidal activity and interaction mechanisms with plants.

MiR-9-3 hypermethylation is associated with stages of diabetic retinopathy.

Purpose: To investigate the potential relation between methylation of miR-9-3 and stages of diabetic retinopathy (DR). Additionally, we explored whether miR-9-3 methylation impacts the serum levels of Vascular Endothelial Growth Factor (VEGF).

Methods: A cross-sectional study was conducted with 170 participants with type 2 diabetes, including a control group ( = 64) and a diabetes retinopathy group ( = 106), which was further divided into NPDR ( = 58) and PDR ( = 48) subgroups.

Metabolomic analysis of retinopathy stages and amputation in type 2 diabetes.

Background: Diabetic retinopathy (DR) and limb amputation are frequent complications of diabetes that cannot always be explained by blood glucose control. Metabolomics is a science that is currently being explored in the search for biomarkers or profiles that identify clinical conditions of interest.

Objective: This study aimed to analyze, using a metabolomic approach, peripheral blood samples from type 2 diabetes mellitus (DM2) individuals, compared with those with diabetic retinopathy and limb amputation.

PERK inhibition with GSK2606414 in zebrafish evokes developmental defects consistent with Wolcott-Rallison syndrome phenotypes.

Background: PERK (EIF2AK3) is an endoplasmic reticulum stress kinase whose loss of function disturbs human development, leading to skeletal dysplasia and permanent neonatal diabetes, as observed in the Wolcott-Rallison Syndrome (WRS). The lack of effective, less invasive therapies for developmental diseases highlights the need for animal models that replicate complex pathological phenotypes, while allowing scalable drug screening. Zebrafish, with their high fecundity and rapid development, facilitate efficient drug testing.

Glucose-Binding Dioclea bicolor Lectin (DBL): Purification, Characterization, Structural Analysis, and Antibacterial Properties.

In this study, we purified a lectin isolated from the seeds of Dioclea bicolor (DBL) via affinity purification. Electrophoresis analysis revealed that DBL had three bands, α, β, and γ chains, with molecular masses of approximately 29, 14, and 12 kDa, respectively. Gel filtration chromatography revealed that the native form of DBL had a molecular mass of approximately 100 kDa, indicating that it is a tetramer.

Use of antidepressants in the treatment of chronic orofacial pain caused by temporomandibular disorders: A randomized controlled clinical trial.

Background And Objective: Temporomandibular disorders (TMDs) are a common pathology, associated with pain in the facial territory and with associated psychological disorders, such as anxiety and depression. The aim of this study was to evaluate the efficacy of antidepressants in the treatment of pain associated with TMD.

Materials And Methods: Sixty four patients suffering from chronic orofacial pain, randomly distributed in 3 groups: control group treated with night splint, group treated with 10mg/day of citalopram and group treated with 25mg/day of amitriptyline.

Unravelling the combined impacts of drought and Cu in barley plants - double trouble?

The occurrence of drought in soils, particularly in those contaminated by metals, poses a current threat to crops, as these factors can interact and induce unique stress responses. Therefore, this study mainly focused on understanding the crosstalk between drought and copper (Cu) stress in the physiology of the barley (Hordeum vulgare L.) plant.

Beach wrack: Discussing ecological roles, risks, and sustainable bioenergy and agricultural applications.

The equilibrium of the marine ecosystem is currently threatened by several constraints, among which climate change and anthropogenic activities stand out. Indeed, these factors favour the growth of macroalgae, which sometimes end up stranded on the beaches at the end of their life cycle, forming what is known as beach wrack. Despite its undeniable important ecological role on beaches, as it is an important source of organic matter (OM), and provides food and habitat for several invertebrates, reptiles, small mammals, and shorebirds, the overaccumulation of beach wrack is often associated with the release of greenhouse gases, negatively impacting tourist activities, and generating economic expenses for its removal.