Rheumatoid Arthritis

Integrating machine learning with QSPR for property prediction of anti-vertigo drugs.

Vertigo is a debilitating vestibular disorder affecting approximately 10-30% of the global population, yet no dedicated computational chemistry study has systematically characterised the properties of its pharmacological agents using machine learning. In this study, we present the first Quantitative Structure-Property Relationship (QSPR) analysis of 47 clinically established anti-vertigo drugs usi...

EnAcrPred: A robust ensemble machine learning framework for identifying anti-CRISPR proteins.

The identification of anti-CRISPR proteins (Acrs) is crucial for understanding the regulation of CRISPR-Cas systems and their application in gene editing. However, current experimental methods face challenges, particularly in detecting Acrs with low similarity to known protein sequences. To address these challenges, we propose EnAcrPred, an advanced prediction framework based on ensemble learning....

From Theory to Practice: Which Biomarkers Are Ready for Predicting Response in Advanced HCC?

Systemic therapies for advanced hepatocellular carcinoma (HCC) have expanded considerably with the advent of tyrosine kinase inhibitors, immune checkp...

Combining bioinformatics and machine learning to analyze and validate sepsis-related cell senescence genes and potential drugs.

Sepsis is a life-threatening organ malfunction induced by the host's abnormal reaction to infection. Sepsis can induce cellular senescence, thereby ex...

Integrated Network Pharmacology, Molecular Docking, and Experimental Validation for Uncovering the Pharmacodynamic Basis of Sanghuang against Human Pulmonary Fibrosis.

INTRODUCTION/OBJECTIVE: Sanghuang, a traditional Chinese medicinal fungus, exhibits well-documented anti-inflammatory, antioxidant, and antitumor acti...

A Multidimensional Integrated Strategy for Identifying Anti-thrombotic Quality Markers(Q-Markers) in Taohong Siwu Decoction through Combined Analysis of Chemical Profiling, Bioactivity, and Pharmacodynamic Efficacy.

ETHNOPHARMACOLOGICAL RELEVANCE: Taohong Siwu Decoction (TSD), originating from the Qing Dynasty medical text Gynecology Ice Mirror, is a representativ...

Enhydrin from yacon attenuates atherosclerosis by modulating the FABP5/PPARγ/ABCA1 axis: An integrated multi-omics and in vivo validation.

Dysregulated lipid metabolism drives atherosclerosis (AS). Yacon, an Andean lipid-modulating tuber, exerts anti-AS potential, but mechanisms remain un...

Substituent-modulated adaptive aromaticity in NHC-pyrrolyl cations: a combined DFT and machine learning study.

The stabilization of 4π-electron systems remains a fundamental challenge in chemistry, stemming from their intrinsic antiaromaticity and thermodynamic...

Network Pharmacological Analysis of Lentinan in Regulating Intervertebral Disc Degeneration: Combined with Machine Learning-Based Screening and Molecular Dynamics Validation.

Lentinan (LNT) is a polysaccharide with antioxidant and anti-inflammatory properties; however, its link to intervertebral disc degeneration (IVDD) rem...

Precision Management of Autoimmune Ocular Complications: Th17 Mechanisms and Therapeutic Innovations.

Precision management of ocular complications in systemic autoimmune diseases, such as Sjögren's syndrome (SS), systemic lupus erythematosus (SLE), Beh...

Traumatic Inflammatory-Coagulation Coactivation Occurs Early After Injury and Impacts Mortality.

OBJECTIVES: Acute traumatic coagulopathy is known to occur early following severe injury. However, the role and impact of both pro- and anti-inflammat...

[Emerging classifications of cardiometabolic risk in obesity].

Obesity, historically defined by body mass index and waist circumference, is a major risk factor for cardiometabolic complications; however, these ind...

Integrated transcriptomic analysis identifies liver aging-driven fibrosis signatures and reveals therapeutic strategies based on medicine-food homology.

Despite its strong regenerative capacity, liver aging paradoxically increases susceptibility to fibrosis and metabolic dysfunction-associated steatoti...

AI-based histopathology analysis predicts checkpoint inhibitor response in advanced melanoma and identifies patterns associated with response.

INTRODUCTION: Readily available predictive biomarkers for immune checkpoint inhibitor (ICI) response in advanced melanoma are limited. This study eval...

Disorganization of inner retinal layers and disruption of outer retinal layers as predictors of anti-vascular endothelial growth factor treatment outcomes in diabetic macular edema: A scoping review.

We systematically map the evidence on optical coherence tomography (OCT) biomarkers-mainly disorganization of the retinal inner layers (DRIL), disrupt...

Combining Anti-Hallucination Strategies for Reliable LLM-Based Clinical Information Extraction.

We present a novel LLM-based approach for medical concept extraction that combines multiple anti-hallucination strategies. Our Streamlit web applicati...

Integrating network pharmacology, molecular docking, machine learning, and experimental validation: puerarin improves sepsis-induced acute kidney injury via the Sirt1-Nrf2-HO-1 pathway.

Acute kidney injury (AKI) associated with sepsis has a high clinical mortality rate, and there is a lack of effective therapeutic targets; uncontrolle...

Blocking MOXD1-derived ACOX1 peroxisome trafficking suppresses metabolic dysfunction-associated steatohepatitis.

BACKGROUND: Metabolic dysfunction-associated steatohepatitis (MASH) has become a major global health burden yet effective pharmacological treatments r...

NATURal history of coronary PlaquE on cardiac computed tomography in individuals without MACE or lipid-lowering therapy: NATURE-CTstudy.

BACKGROUND: Coronary artery disease (CAD) progression has been examined mainly in cohorts enriched for major adverse cardiovascular events (MACE), a h...

Computational models for the classification of antibody specificity using heavy chain features.

BACKGROUND: Antibodies play a critical role in immune defense, with their antigen specificity primarily governed by the unique sequences of their heav...