Nrf2 Activation as a Therapeutic Target for Flavonoids in Aging-Related Osteoporosis.

Biological aging is a substantial change that leads to different diseases, including osteoporosis (OP), a condition involved in loss of bone density, deterioration of bone structure, and increased fracture risk. In old people, there is a natural decline in bone mineral density (BMD), exacerbated by hormonal changes, particularly during menopause, and it continues in the early postmenopausal years. During this transition time, hormonal alterations are linked to elevated oxidative stress (OS) and decreased antioxidant defenses, leading to a significant increase in OP.

The Application of Olive-Derived Polyphenols on Exercise-Induced Inflammation: A Scoping Review.

Background/objectives: There is current scientific interest pertaining to the therapeutic effects of olive-derived polyphenols (ODPs), in particular their associated anti-inflammatory properties, following the wealth of research surrounding the physiological impact of the Mediterranean Diet (MD). Despite this association, the majority of the current literature investigates ODPs in conjunction with metabolic diseases. There is limited research focusing on ODPs and acute inflammation following exercise, regardless of the knowledge surrounding the elevated inflammatory response during this time.

Experimental Study on the Application of Polymer Agents in Offshore Oil Fields: Optimization Design for Enhanced Oil Recovery.

The Bohai oilfield is characterized by severe heterogeneity and high average permeability, leading to a low water flooding recovery efficiency. Polymer flooding only works for a certain heterogeneous reservoir. Therefore, supplementary technologies for further enlarging the swept volume are still necessary.

Microbial Adhesion and Cytotoxicity of Heat-Polymerized and 3D-Printed Denture Base Materials when Modified with Dimethylaminohexadecyl Methacrylate and/or 2-Methacryloyloxyethyl Phosphorylcholine as Antimicrobial and Protein-Repellent Materials.

Background: Polymethyl methacrylate (PMMA) is ideal for denture bases but is prone to biofilm accumulation, leading to denture stomatitis (DS), often involving . Dimethylaminohexadecyl methacrylate (DMAHDM) and 2-methacryloyloxyethyl phosphorylcholine (MPC) are introduced into dental materials for their antimicrobial and protein-repellent properties. This study investigates the effects of incorporating dimethylaminohexadecyl methacrylate (DMAHDM) and 2-methacryloyloxyethyl phosphorylcholine (MPC) into heat-polymerized (HP) and 3D-printed (3DP) denture base resins on microbial adhesion and cytotoxicity.

Influence of Monomer Size on CO Adsorption and Mechanical Properties in Microporous Cyanate Ester Resins.

Molecular simulations offer valuable insights into thermosetting polymers' microstructures and interactions with small molecules, aiding in the development of advanced materials. In this study, we design two cyanate resin models featuring monomers of different sizes and employ a previously developed method to generate crosslinked structures. We then analyze their crosslinking processes and physicochemical properties.

p97 Inhibitors Possessing Antiviral Activity Against SARS-CoV-2 and Low Cytotoxicity.

p97 (also known as valosin-containing protein, VCP) is a member of the AAA+ ATPase family and is intimately associated with protein quality control and homeostasis regulation. Therefore, pharmaceutical inhibition of p97 has been actively pursued as an anticancer strategy. Recently, p97 has emerged as an important pro-viral host factor and p97 inhibitors are being evaluated as potential antiviral agents.

Synthesis of Anti-Inflammatory Drugs' Chalcone Derivatives and a Study of Their Conformational Properties Through a Combination of Nuclear Magnetic Resonance Spectroscopy and Molecular Modeling.

Background: In this study, two chalcone analogs were synthesized through in silico and experimental methods, and their potential to inhibit the lipoxygenase enzyme, which plays a role in the inflammation pathway, was assessed. Specifically, this study is a continuation of previous research in which chalcone derivatives were synthesized and characterized.

Objectives/methods: In the current work, we present the re-synthesis of two chalcones, with a focus on their docking studies, NMR analysis, and dynamic simulations.

Harnessing the AI/ML in Drug and Biological Products Discovery and Development: The Regulatory Perspective.

Artificial Intelligence (AI) has the disruptive potential to transform patients' lives via innovations in pharmaceutical sciences, drug development, clinical trials, and manufacturing. However, it presents significant challenges, ethical concerns, and risks across sectors and societies. AI's rapid advancement has revealed regulatory gaps as existing public policies struggle to keep pace with the challenges posed by these emerging technologies.

Astrocytic HIV-1 Nef Expression Decreases Glutamate Transporter Expression in the Nucleus Accumbens and Increases Cocaine-Seeking Behavior in Rats.

Background/objectives: Cocaine use disorder is an intersecting issue in populations with HIV-1, further exacerbating the clinical course of the disease and contributing to neurotoxicity and neuroinflammation. Cocaine and HIV neurotoxins play roles in neuronal damage during neuroHIV progression by disrupting glutamate homeostasis in the brain. Even with combined antiretroviral therapy (cART), HIV-1 Nef, an early viral protein expressed in approximately 1% of infected astrocytes, remains a key neurotoxin.

Machine Learning-Assisted Drug Repurposing Framework for Discovery of Aurora Kinase B Inhibitors.

Aurora kinase B (AurB) is a pivotal regulator of mitosis, making it a compelling target for cancer therapy. Despite significant advances in protein kinase inhibitor development, there are currently no AurB inhibitors readily available for therapeutic use. This study introduces a machine learning-assisted drug repurposing framework integrating quantitative structure-activity relationship (QSAR) modeling, molecular fingerprints-based classification, molecular docking, and molecular dynamics (MD) simulations.

Natural Product Identification and Molecular Docking Studies of Leishmania Major Pteridine Reductase Inhibitors.

: Pteridine reductase 1 (PTR1) has been one of the prime targets for discovering novel antileishmanial therapeutics in the fight against Leishmaniasis. This enzyme catalyzes the NADPH-dependent reduction of pterins to their tetrahydro forms. While chemotherapy remains the primary treatment, its effectiveness is constrained by drug resistance, unfavorable side effects, and substantial associated costs.

Molecular Epidemiology, Drug-Resistant Variants, and Therapeutic Implications of Hepatitis B Virus and Hepatitis D Virus Prevalence in Nigeria: A National Study.

Information on circulating HBV (sub-)genotype, variants, and hepatitis D virus (HDV) coinfection, which vary by geographical area, is crucial for the efficient control and management of HBV. We investigated the genomic characteristics of HBV (with a prevalence of 8.1%) and the prevalence of HDV in Nigeria.

Mitochondrial DNA Structure in .

Kinetoplastids display a single, large mitochondrion per cell, with their mitochondrial DNA referred to as the kinetoplast. This kinetoplast is a network of concatenated circular molecules comprising a maxicircle (20-64 kb) and up to thousands of minicircles varying in size depending on the species (0.5-10 kb).

: Genomic Diversity and Structure.

is the causative agent of Chagas disease, a neglected tropical disease, and one of the most important parasitic diseases worldwide. The first genome of was sequenced in 2005, and its complexity made assembly and annotation challenging. Nowadays, new sequencing methods have improved some strains' genome sequence and annotation, revealing this parasite's extensive genetic diversity and complexity.

A Method to Evaluate Orientation-Dependent Errors in the Center of Contrast Targets Used with Terrestrial Laser Scanners.

Terrestrial laser scanners (TLS) are portable dimensional measurement instruments used to obtain 3D point clouds of objects in a scene. While TLSs do not require the use of cooperative targets, they are sometimes placed in a scene to fuse or compare data from different instruments or data from the same instrument but from different positions. A contrast target is an example of such a target; it consists of alternating black/white squares that can be printed using a laser printer.

Spatial Characterization of Woody Species Diversity in Tropical Savannas Using GEDI and Optical Data.

Developing the capacity to monitor species diversity worldwide is of great importance in halting biodiversity loss. To this end, remote sensing plays a unique role. In this study, we evaluate the potential of Global Ecosystem Dynamics Investigation (GEDI) data, combined with conventional satellite optical imagery and climate reanalysis data, to predict in situ alpha diversity (Species richness, Simpson index, and Shannon index) among tree species.

Plasma Endothelin-1 Levels: Non-Predictors of Alzheimer's Disease Reveal Age Correlation in African American Women.

Alzheimer's disease (AD) and related dementias (ADRD) disproportionately impact racial and ethnic minorities. Contributing biological factors that explain this disparity have been elusive. Moreover, non-invasive biomarkers for early detection of AD are needed.

Motivation to Clinical Trial Participation: Health Information Distrust and Healthcare Access as Explanatory Variables and Gender as Moderator.

: There is significant underrepresentation in clinical trials across diverse populations. Less is known about how health system-related factors, such as relationships and trust, mediate the motivation for clinical trial participation. We aimed to investigate whether health system-related factors explain the association between sociodemographic factors and motivation for participation.

Predictors of Hospitalization for Patients Presenting to Emergency Department with COVID-19 Infection.

: Predictors of morbidity and mortality in hospitalized COVID-19 patients have been extensively studied. However, comparative analyses of predictors for hospitalization versus discharge from the emergency department remain limited. : This retrospective study evaluated predictors of hospitalization among adults (≥18 years) presenting to the emergency department with COVID-19 infection between 1 March 2020 and 15 June 2020.

Metabolic Sequelae and Quality of Life in Early Post-Treatment Period in Adolescents with Hodgkin Lymphoma.

: The long-term consequences of intensive treatment for Hodgkin lymphoma (HL), including metabolic syndrome (MetS) and cardiovascular diseases, but also deteriorated quality of life (QoL), are present in many survivors of childhood HL. : Adolescents and young adults diagnosed with HL who continued the follow-up after successful treatment for HL were included. Anthropometric parameters, body composition, laboratory data, blood pressure values, compliance to the Mediterranean diet (MD), QoL and lifestyle habits were evaluated at the follow-up.

Analysis of Preventive Effect of Bisphosphonate for Osteoporotic Fracture in Patients with Alzheimer's Disease and Patient Mortality.

: Alzheimer's disease (AD) is the most common neurodegenerative disease in the older adult population and is often associated with reduced physical activity. Reduced activity and mechanical loading subsequently reduce bone mineral density and increase risk of osteoporosis. Bisphosphonates (BPs) offer preventative effects on osteoporotic fractures in the general population, but their effects on patients with AD are less known.

Mononuclear Aluminum-Fluoride Ions, AlF-Study of Plausible Frameworks of Complexes with Biomolecules and Their In Vitro Toxicity.

The importance of fluorine and aluminum in all aspects of daily life has led to an enormous increase in human exposure to these elements in their various forms. It is therefore important to understand the routes of exposure and to investigate and understand the potential toxicity. Of particular concern are aluminum-fluoride complexes (AlF), which are able to mimic the natural isostructural phosphate group and influence the activity of numerous essential phosphoryl transferases.

Mechanism and Characterization of Bicomponent-Filler-Reinforced Natural Rubber Latex Composites: Experiment and Molecular Dynamics (MD).

The incorporation of reinforcing fillers into natural rubber latex (NR) to achieve superior elasticity and mechanical properties has been widely applied across various fields. However, the tendency of reinforcing fillers to agglomerate within NR limits their potential applications. In this study, multi-walled carbon nanotube (MWCNT)-silica (SiO)/NR composites were prepared using a solution blending method, aiming to enhance the performance of NR composites through the synergistic effects of dual-component fillers.

Anticonvulsant Effects of Synthetic -(3-Methoxybenzyl)oleamide and -(3-Methoxybenzyl)linoleamide Macamides: An In Silico and In Vivo Study.

Epilepsy is a chronic neurological disorder that affects nearly 50 million people worldwide. Experimental evidence suggests that epileptic neurons are linked to the endocannabinoid system and that inhibition of the FAAH enzyme could have neuroprotective effects by increasing the levels of endogenous endocannabinoid anandamide. In this context, the use of macamides as therapeutic agents in neurological diseases has increased in recent years.

Resveratrol-Based Carbamates as Selective Butyrylcholinesterase Inhibitors: Design, Synthesis, Computational Study and Biometal Complexation Capability.

Considering our previous experience in the design of new cholinesterase inhibitors, especially resveratrol analogs, in this research, the basic stilbene skeleton was used as a structural unit for new carbamates designed as potentially highly selective butyrylcholinesterase (BChE) inhibitors with excellent absorption, distribution, metabolism, excretion and toxicity ADMET properties. The inhibitory activity of newly prepared carbamates - was tested toward the enzymes acetylcholinesterase (AChE) and BChE. In the tested group of compounds, the leading inhibitors were and , which achieved excellent selective inhibitory activity for BChE with IC values of 0.