Prescriptions

Screening for novel chemical scaffolds targeting PCNA identifies the Hsp90alpha inhibitor SNX-2112.

Proliferating cell nuclear antigen (PCNA) protein is an emerging therapeutic target for several diseases including cancers, and certain viral infections. It was previously regarded as being undruggable, due to its functions as a molecular hub that regulates a multitude of essential cellular pathways. However, we recently developed a PCNA inhibitor, AOH1996, which acts as a molecular glue between P...

Deep capsule neural network for identifying anticancer peptides using sequence to image transformation-based local embedded features.

BACKGROUND: Globally, cancer is a major health issue that poses a significant threat to human health. Traditional treatments and laboratory-based methods have been extensively employed to treat cancer-affected cells. However, their high processing costs and side effects still limit their efficacy. In the past decade, significant developments in the field of anticancer peptides (ACPs) have shown a ...

A Comprehensive Approach to Days' Supply Estimation in a Real-World Prescription Database: Algorithm Development and Validation Study.

BACKGROUND: For accurate medication usage statistics and medication adherence calculations, we need to have an accurate days' supply (DS) for each pre...

Biosimilar stewardship at the interface of disproportionality methods and AI integration: current evidence and potential strategies.

INTRODUCTION: Biosimilar stewardship includes safety, appropriate use, and value. However, it faces challenges due to shortages in disproportionality ...

A physics-informed graph neural network to approximate docking-based binding affinity for DYRK2 in Alzheimer's drug repurposing.

Alzheimer's disease (AD) requires the discovery of new therapeutic targets, but traditional molecular docking methods for virtual screening are often ...

AI-Enabled Surveillance and Modelling for Counterfeit Botulinum Toxin A: Risk Projection, Patient Safety, and Systemic Reform of Pharmacovigilance.

BACKGROUND: Counterfeit Botulinum Toxin A (BoNT-A) poses a growing global threat, particularly in aesthetic medicine where regulatory oversight is min...

Medical intelligence vs. artificial intelligence - How psychiatrists arrive at treatment algorithms.

The rise of artificial intelligence and computational methods in clinical decision-making allows for a novel perspective on personalized psychopharmac...

Domain adversarial gated bilinear attention networks for cross domain drug target interaction prediction.

Accurate prediction of drug-target interactions (DTIs) is crucial for accelerating drug discovery. However, current computational methods often fail t...

Development and validation of a prognosis model for low-grade gliomas based on metabolic gene risk scoring and immune microenvironment interaction.

PURPOSE: Low-grade gliomas(LGGs) show significant clinical and molecular heterogeneity, complicating progression prediction with conventional indicato...

Drug Repositioning by Belief Networks and Ensemble Method.

The approach of drug repositioning, recognized as an efficient strategy to reduce costs and shorten development timelines in the pharmaceutical indust...

Inhibition of the p38/JNK MAPK pathway mediated by circadian rhythm genes: Study of the mechanism of Linggan Wuwei Jiangxin decoction in the treatment of COPD.

ETHNOPHARMACOLOGICAL RELEVANCE: Chronic obstructive pulmonary disease (COPD) is a frequently encountered respiratory disease. Its clinical symptoms ar...

Development and validation of a machine learning stratified prediction model for early warning of anti-tuberculosis drug-induced liver injury risk based on real-world data: a retrospective cohort study.

OBJECTIVE: This study aimed to develop and validate stratified machine learning models for early prediction of anti-tuberculosis drug-induced liver in...

CMMSCL-DPI: cross-modal multi-structural contrastive learning for predicting drug-protein interactions.

BACKGROUND: Predicting drug-protein interactions (DPI) is essential for effective and safe drug discovery. Although deep learning methods have been ex...

Personalized Diabetes Treatment Support Using Large Language Models Fine-Tuned on Electronic Health Records: Development and Evaluation Study.

BACKGROUND: Effective diabetes management requires individualized treatment strategies tailored to patients' clinical characteristics. With recent adv...

Effects of Lactiplantibacillus plantarum on moderate dyslipidemia before medication involving gut microbiota and host genetics.

In this 12-week trial, 136 participants with moderately dyslipidemia were randomly assigned to receive Lactiplantibacillus plantarum (LP) or placebo. ...

Individualized gamma knife radiosurgery prescription dosing for pituitary adenomas: development and internal validation of a feedforward neural network model.

BACKGROUND: Gamma Knife radiosurgery (GKRS) is an established treatment for pituitary adenomas yet prescription dose selection is often guided by clin...

A hybrid framework for notebook market analysis: Integrating social media sentiment mining with expert knowledge for feature prioritization.

The increasing complexity of consumer preferences in the notebook market requires advanced methodologies to effectively analyze user sentiments and pr...

Biomarker discovery and drug repurposing in hepatocellular carcinoma through transcriptomics, machine learning, network pharmacology, and molecular dynamics.

This study employed an integrative computational and systems biology framework to define a diagnostic gene signature for hepatocellular carcinoma (HCC...

A novel in silico platform combining data-driven and physics-based models for protein formulation developability assessment.

The development of novel therapeutic proteins is accompanied by huge financial and time investments. Advancing molecules through drug product developm...

Importance of genetic ancestry in pharmacogenomics for precision medicine.

Genetic ancestry refers to an individual's biogeographical origins inferred from correlated allele frequencies shared with individuals from similar an...