Mammalian genome : official journal of the International Mammalian Genome Society
Jan 16, 2026
Neurodegenerative diseases (NDDs), including Alzheimer's disease (AD) and Parkinson's disease (PD), are major public health challenges lacking effective therapies. To identify potential drug targets, we integrated large-scale genome-wide association ...
OBJECTIVE: This study aimed to identify diagnostic biomarkers for keloid and explore potential therapeutic agents from traditional Chinese medicine (TCM) by integrating network pharmacology approaches. Specifically, we sought to uncover key molecular...
Journal of computer-aided molecular design
Jan 12, 2026
The integration of artificial intelligence (AI) with molecular modeling offers new opportunities to accelerate therapeutic discovery. In this study, we developed an AI-driven generative pipeline combining deep reinforcement learning (DRL), generative...
Recent breakthroughs in protein structure prediction have opened new avenues for genome-wide drug discovery, yet existing virtual screening methods remain computationally prohibitive. We present DrugCLIP, a contrastive learning framework that achieve...
The majority of machine learning scoring functions used in drug discovery for predicting protein-ligand binding poses and affinities have been trained on the PDBBind data set. However, it is unclear whether these new scoring functions are actually an...
Pulmonary hypertension (PH) is a progressive cardiopulmonary disorder. It features elevated pulmonary arterial pressure, which leads to right ventricular failure and increased mortality. PH's insidious nature, with no specific clinical symptoms, hind...
Journal of computer-aided molecular design
Dec 29, 2025
Cancer immune evasion is predominantly mediated through immune checkpoint pathways, such as the PD-1/PD-L1 axis. In this mechanism, PD-L1, which is often overexpressed on tumor cells, binds to PD-1 receptors on T cells, resulting in the inhibition of...
Proceedings of the National Academy of Sciences of the United States of America
Dec 24, 2025
Understanding protein structure and dynamics is crucial for basic biology and drug design. Conventional methods often provide static conformations that inadequately capture protein flexibility. We present PackDock, a framework that integrates deep le...
PURPOSE: Diethyl phthalate (DEP), a widely distributed environmental contaminant, is epidemiologically linked to prostate cancer (PCa). However, its molecular mechanisms beyond endocrine disruption remain poorly defined. We aimed to investigate the c...
Medical oncology (Northwood, London, England)
Dec 24, 2025
Non-small cell lung cancer (NSCLC) presents significant therapeutic challenges due to resistance and immune evasion. Dihydroartemisinin (DHA), a derivative of artemisinin, exhibits broad anti-tumor activity, but its molecular targets and mechanisms i...
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