The modeling of protein-protein interactions (PPIs) has been revolutionized by artificial intelligence, with deep learning and end-to-end frameworks such as AlphaFold and its derivatives now dominating the field. This review surveys the current compu...
The pharmaceutical industry faces persistent challenges in developing effective treatments for complex diseases, creating an urgent need for innovative approaches to accelerate drug discovery. A pivotal factor in this process is the accurate predicti...
Perfluorooctanoic acid (PFOA), a widely used industrial chemical, poses significant environmental and biological toxicity, particularly affecting reproductive health. This study aimed to integrate network toxicology, machine learning, and molecular d...
International journal of biological macromolecules
Jun 1, 2025
BACKGROUND: Diabetic foot ulcers (DFU) represent one of the most severe complications of diabetes mellitus and are closely associated with persistent hyperglycemia. Endoplasmic reticulum stress response proteins play critical roles in the development...
Journal of receptor and signal transduction research
Jun 1, 2025
To address the challenges of target specificity and drug resistance in Anaplastic lymphoma kinase (ALK) inhibition, this study conducted a virtual screening of the BindingDB database, yielding 711 potential ALK inhibitors. Four QSAR models were estab...
International journal of biological macromolecules
Jun 1, 2025
Cervical cancer is one of the leading causes of death among women worldwide. Current treatments are limited by chemoresistance and chemotherapeutic agents' adverse effects, prompting the search for better therapeutic alternatives. Baicalein, a natura...
The Plasmodium falciparum Protein Kinase 6 (PfPK6) is a serine/threonine protein kinase categorized under the CMGC group, displaying both cyclin-dependent kinases (CDKs) and mitogen-activated protein kinases (MAPKs) activity. Previous research has in...
Ecotoxicology and environmental safety
Jun 1, 2025
Autism Spectrum Disorder (ASD) is a prevalent neurodevelopmental condition influenced by both genetic and environmental factors, including pesticide exposure. This study aims to investigate the pathogenic mechanisms of ASD and identify potential caus...
BACKGROUND: Gastric cancer (GC) is a leading cause of cancer-related deaths worldwide, with late-stage diagnoses frequently leading to poor outcomes. This underscores the need for effective early-stage gastric cancer (ESGC) diagnostics.
Parkinson's disease (PD) is characterised by a complex array of motor, psychiatric, and gastrointestinal symptoms, many of which are linked to disruptions in neuroactive metabolites. Dysregulated activity of tryptophan 2,3-dioxygenase (TDO), a key en...
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