Journal of chemical information and modeling
Mar 14, 2025
Ischemic stroke's complex pathophysiology demands therapeutic approaches targeting multiple pathways simultaneously, yet current treatments remain limited. We developed an innovative drug discovery pipeline combining a deep learning approach with exp...
Ecotoxicology and environmental safety
Mar 14, 2025
BACKGROUND: Within the past two decades, high-profile cases of melamine (MA) exposure have raised significant toxicological concerns, particularly regarding food adulteration. While widely used as a fundamental organic chemical intermediate in variou...
The accelerating growth of make-on-demand chemical libraries provides unprecedented opportunities to identify starting points for drug discovery with virtual screening. However, these multi-billion-scale libraries are challenging to screen, even for ...
The androgen receptor (AR) activation by androgens is vital for tissue development, sexual differentiation, and reproductive attributes in zebrafish (). However, our understanding of the molecular mechanisms behind their activation remains limited. I...
Indole derivatives have demonstrated significant potential as anticancer agents; however, the complexity of their structure-activity relationships and the high dimensionality of molecular descriptors present challenges in the drug discovery process. ...
Journal of pharmaceutical and biomedical analysis
Mar 6, 2025
Yi-Qi-Yang-Yin Decoction (YQYY), a traditional Chinese medicine (TCM) formula, has been used to treat diabetic retinopathy (DR), yet its precise mechanisms of action remain poorly understood. In this study, two distinct diabetic models, namely sponta...
Pixian Doubanjiang (PXDB)'s distinctive umami profile is primarily attributed to its unique peptides; however, their structural characteristics, sensory mechanisms, and biosynthetic pathways during aging remain poorly understood. This study employed ...
OBJECTIVES: Beta-lactamase is a bacterial enzyme that deactivates beta-lactam antibiotics, and it is one of the leading causes of antibiotic resistance problems globally. In current drug discovery research, molecular simulation, like molecular dockin...
Ecotoxicology and environmental safety
Feb 28, 2025
BACKGROUND: In recent years, air pollution has been demonstrated to be associated with the occurrence of various diseases. This study aims to explore the potential association between air pollutants and prostate cancer (PCa) and to identify key genes...
International journal of molecular sciences
Feb 27, 2025
Alzheimer's disease (AD) is a progressive neurodegenerative disorder characterized by a gradual decline in cognitive function. Currently, there are no effective treatments for this condition. Medicine food homology plants have gained increasing atten...
Join thousands of healthcare professionals staying informed about the latest AI breakthroughs in medicine. Get curated insights delivered to your inbox.