Exploring the potential of compound-protein complex structure-free models in virtual screening using BlendNet.

Identifying new compounds that interact with a target is a crucial time-limiting step in the initial phases of drug discovery. Compound-protein complex structure-based affinity prediction models can expedite this process; however, their dependence on high-quality three-dimensional (3D) complex structures limits their practical application. Prediction models that do not require 3D complex structures for binding-affinity estimation offer a theoretically attractive alternative; however, accurately predicting affinity without interaction information presents significant challenges.

Asian Pacific Society of Cardiology Position Statement on the Use of Transcatheter Aortic Valve Implantation in the Management of Aortic Stenosis.

Transcatheter aortic valve implantation (TAVI) has been established as an effective treatment modality in patients with severe aortic stenosis (AS) and the uptake of TAVI is rapidly growing in the Asia-Pacific region. However, there exist a heterogeneity in the management of aortic stenosis and the use of TAVI among countries in the region. Reasons for these differences include anatomic variations, disparity in healthcare resources and infrastructure, and the lack of consensus on the optimal management of AS in the Asia-Pacific region.

Apoptotic cell death of stomach cancer lines (AGS) induced by Co-NTB complex through cellular organelles and DNA damage.

Given that stomach cancer is the fourth leading cause of cancer-related death, there is a need to develop new drugs. Among various methods, metal-based coordination compounds are considered as an efficient strategy against this type of cancer. Similarly, the benzimidazole moiety plays a crucial role in biology; thus, various benzimidazole-based compounds have been found to be active as potential anticancer drugs and are currently used in clinical trials.

Global, regional, and national trends in drug use disorder mortality rates across 73 countries from 1990 to 2021, with projections up to 2040: a global time-series analysis and modelling study.

Background: Drug use disorder (DUD) poses a major public health crisis globally, necessitating immediate attention to global trends and future projections to develop effective health policies and interventions. Thus, we aimed to estimate the global trends in DUD mortality rates from 1990 to 2021 and future projections of DUD deaths until 2040 across 73 countries.

Methods: In this time-series analysis and modelling study, we investigated the global trends in DUD mortality rates from 1990 to 2021 using the WHO Mortality Database and forecasted future trends through 2040.

Maternal and neonatal complications of pregnant women with bipolar disorder: a systematic review and meta-analysis.

Background: Confidence in pregnancy outcome data for women with bipolar disorder is compromised by small cohort sizes. However, comprehensive national data have been published over the last decade, but no quantitative synthesis has been established to determine the factors associated with complications in these women. Our goal is to summarise the evidence of population-based data on obstetric complications and neonatal outcomes in women with bipolar disorder compared to women without bipolar disorder.

Rocaglamide-A mitigates LPS-induced hepatic inflammation by modulating JNK/AP-1 signaling cascade and ROS production in hepatocytes.

Unlabelled: Lipopolysaccharide (LPS), a gut-derived endotoxin, is a recognized risk factor for both Non-alcoholic fatty liver disease (NAFLD) and alcoholic liver disease (ALD). Rocaglamide-A (Roc-A), a natural compound derived from the genus Aglaia, is known for its pharmacological and immunosuppressive effects on various cell types. Although our recent investigations have unveiled Roc-A's anti-adipogenic role in adipocytes, its mechanism in hepatic inflammation remains elusive.

Loss of neuronal βPix isoforms impairs neuronal morphology in the hippocampus and causes behavioral defects.

βPix is a guanine nucleotide exchange factor for the Rac1 and Cdc42 small GTPases, which play important roles in dendritic spine morphogenesis by modulating actin cytoskeleton organization. The formation and plasticity of the dendritic spines are essential for normal brain function. Among the alternatively spliced βPix isoforms, βPix-b and βPix-d are expressed specifically in neurons.

Adsorption of phenol and methylene blue contaminants onto high-performance catalytic activated carbon from biomass residues.

Organic contaminants from wastewater toxicity to the environment has increased during the last few decades and, therefore, there is an urgent need to decontaminate wastewater prior to disposal. This study aimed to create a high surface area catalytic activated carbon (AC) under same carbonization conditions for phenol and methylene blue (organic wastewater) decontamination. husk (MH), sesame husk (SH), and baobab husk (BH) were used to prepare activated carbon for the removal of methylene blue (MB) and phenol (Ph).

Analyzing collaborations in clinical trials in Korea using association rule mining.

Identifying how trial sites collaborate is essential for multicenter trials. The ways in which collaboration among trial sites is established can vary according to study phase and clinical trial domains. In this study, we employed association rule mining to reveal trial collaboration.

Research on unintroduced new drugs in South Korea from 2011 to 2020: approaches to prioritization and strategy.

In recent years, with the experience of the COVID-19 pandemic, countries around the world have realized that improving patient access to new medicines can have a significant impact on public health and economic stability. The aim of this study was to identify new drugs that are urgently needed among those not yet available in South Korea from 2011 to 2020, and to develop strategies to improve access by analyzing the causes of delay. Through a 3-step screening process that included a literature review of new drugs, surveys of domestic clinicians and academics, and consideration of expedited review status by regulatory authorities, 34 out of 244 unreleased new drugs were prioritized for rapid introduction.

Activation of Immune Responses Through the RIG-I Pathway Using TRITC-Dextran Encapsulated Nanoparticles.

Pathogen-associated molecular patterns (PAMPs) are highly conserved motifs originating from microorganisms that act as ligands for pattern recognition receptors (PRRs), which are crucial for defense against pathogens. Thus, PAMP-mimicking vaccines may induce potent immune activation and provide broad-spectrum protection against microbes. Dextran encapsulation can regulate the surface characteristics of nanoparticles (NPs) and induces their surface modification.

Simultaneous Epigenetic and Gene Expression Profiling at Single Cell Resolution Uncovers Stem-Like Treg Subsets Induced With Oligonucleotide Expansion in Humans.

Tregs play a central role in maintaining immune tolerance. Recent progress in the clinical application of Tregs underscores their potential for cell therapy. Nevertheless, a notable hurdle remains in producing functional Tregs .

RAPO Attenuates Dermal and Pulmonary Fibrosis in a Mouse Model of Systemic Sclerosis through Macrophage Modulation and Growth of Short-Chain Fatty Acid Producers.

Systemic sclerosis (SSc) is a complex autoimmune disease with an unclear etiology and no effective treatments. Recent research has suggested involvement of the microbiome in SSc pathogenesis. This study aimed to identify specific microbial species associated with SSc and explore their therapeutic potential.

Monovalent Anti-CD3 Antibodies Effectively Eliminate the TCR-Positive Fraction of TCR-Deleted Allogeneic CAR-T Cells to Prevent GVHD.

Chimeric antigen receptor-transduced T (CAR-T) cell therapy is an effective cell therapy against advanced hematological tumors. However, the use of autologous T cells limits its timely and universal generation. Allogeneic CAR-T cell therapy may be a good alternative as a ready-to-use therapeutic.

Changes in Physical Activity and Cardiovascular Disease Risk in Cancer Survivors: A Nationwide Cohort Study.

Background: Cancer survivors face an elevated risk of cardiovascular disease, with physical inactivity after cancer treatment potentially worsening this risk.

Objectives: The aim of this study was to investigate the association between physical activity before and after a cancer diagnosis and the risk for heart disease.

Methods: A nationwide cohort of 269,943 cancer survivors (mean age 56.

Ring-Opening Polymerization of Surface Ligands Enables Versatile Optical Patterning and Form Factor Flexibility in Quantum Dot Assemblies.

The evolution of display technologies is rapidly transitioning from traditional screens to advanced augmented reality (AR)/virtual reality (VR) and wearable devices, where quantum dots (QDs) serve as crucial pure-color emitters. While solution processing efficiently forms QD solids, challenges emerge in subsequent stages, such as layer deposition, etching, and solvent immersion. These issues become especially pronounced when developing diverse form factors, necessitating innovative patterning methods that are both reversible and sustainable.

An Analysis of Components and Enhancement Strategies for Advancing Memristive Neural Networks.

Advancements in artificial intelligence (AI) and big data have highlighted the limitations of traditional von Neumann architectures, such as excessive power consumption and limited performance improvement with increasing parameter numbers. These challenges are significant for edge devices requiring higher energy and area efficiency. Recently, many reports on memristor-based neural networks (Mem-NN) using resistive switching memory have shown efficient computing performance with a low power requirement.

Overweight, obesity, and cardiovascular disease in heterozygous familial hypercholesterolaemia: the EAS FH Studies Collaboration registry.

Background And Aims: Overweight and obesity are modifiable risk factors for atherosclerotic cardiovascular disease (ASCVD) in the general population, but their prevalence in individuals with heterozygous familial hypercholesterolaemia (HeFH) and whether they confer additional risk of ASCVD independent of LDL cholesterol (LDL-C) remains unclear.

Methods: Cross-sectional analysis was conducted in 35 540 patients with HeFH across 50 countries, in the EAS FH Studies Collaboration registry. Prevalence of World Health Organization-defined body mass index categories was investigated in adults (n = 29 265) and children/adolescents (n = 6275); and their association with prevalent ASCVD.

Room Temperature Quantum Emitters in van der Waals α-MoO.

Quantum emitters in solid-state materials are highly promising building blocks for quantum information processing and communication science. Recently, single-photon emission from van der Waals materials has been reported in transition metal dichalcogenides and hexagonal boron nitride, exhibiting the potential to realize photonic quantum technologies in two-dimensional materials. Here, we report the generation of room temperature single-photon emission from exfoliated and thermally annealed single crystals of van der Waals α-MoO.

A Gate-Opening Control Strategy via Nitrate-Chloride Anion Exchange for Enhanced Hydrogen Isotope Separation in Metal-Organic Frameworks.

Efficient separation of hydrogen isotopes, especially deuterium (D2), is pivotal for advancing industries such as nuclear fusion, semiconductor processing, and metabolic imaging. Current technologies, including cryogenic distillation and Girdler sulfide processes, suffer from significant limitations in selectivity and cost-effectiveness. Herein, we introduce a novel approach utilizing an imidazolium-based Metal-Organic Framework (MOF), JCM-1, designed to enhance D2/H2 separation through temperature-dependent gate-opening controlled by ion exchange.

Advocacy in Action: International Patient Group Improves Hereditary Angioedema Diagnosis and Care Across the Asia-Pacific.

This study demonstrates that patient advocacy groups significantly enhance medication availability and improve diagnosis of hereditary angioedema (HAE), particularly in emerging economies within the Asia-Pacific region. This study supports integrating patient advocacy group involvement into management guidelines, emphasising their role in improving access to diagnostics and treatment for HAE.

Liver function and Alzheimer's brain pathologies: A longitudinal study: Liver and Alzheimer's pathologies.

Importance: The neuropathological links underlying the association between changes in liver function and AD have not yet been clearly elucidated.

Objective: We aimed to examine the relationship between liver function markers and longitudinal changes in Alzheimer's disease (AD) core pathologies.

Design: Data from the Korean Brain Aging Study for the Early Diagnosis and Prediction of Alzheimer's Disease, a longitudinal cohort study initiated in 2014, were utilized.

Community health system capacities and capabilities within an evolving community health policy framework: mixed methods study of stakeholders in central Uganda.

Objectives: Empowering communities through identifying and unlocking community capacities and capabilities is vital for improving community health systems. This study assessed the community health system's status quo and readiness for implementing a government-led, partner-supported community health worker project.

Design: A mixed methods cross-sectional study.

Hybrid lipid nanoparticles with tumor antigen-primed dendritic cell membranes for post-surgical tumor immunotherapy.

Post-surgical tumor recurrence poses a major challenge in cancer treatment due to residual tumor cells and surgery-induced immunosuppression. Here, we developed hybrid nanoparticles, termed T-DCNPs, designed to promote antigen-specific activation of cytotoxic CD8+ T cells while concurrently inhibiting immunosuppressive pathways within the tumor microenvironment. T-DCNPs were formulated by co-extruding lipid nanoparticles containing a transforming growth factor β inhibitor with dendritic cells that were pre-treated with autologous neoantigens derived from surgically excised tumors.