Phytomedicine : international journal of phytotherapy and phytopharmacology
Sep 11, 2025
BACKGROUND: The proinflammatory response triggered by macrophages/microglia plays a crucial role in the prognosis of acute ischemic stroke (AIS). Identifying novel targets to regulate the homeostasis of these cells is essential. Developing therapeuti...
Journal of chemical information and modeling
Sep 11, 2025
Protein-nucleic acid interactions are fundamental to biological processes and biotechnology, yet their computational prediction lags behind protein structure or protein-protein interaction modeling. This study introduces ProNASet, a benchmark data se...
BACKGROUND: Ankylosing spondylitis (AS), a chronic inflammatory disorder affecting axial joints, is frequently complicated by uveitis. However, the molecular mechanisms linking AS to secondary uveitis remain poorly understood.
Crohn's disease (CD) is a chronic inflammatory bowel condition that significantly impairs patients' quality of life. With no cure currently available, the need to discover novel biomarkers and develop effective therapeutic strategies is paramount. Th...
Salmonella enterica serovar Typhi, the etiological agent of Typhoid fever, remains a critical public health concern associated with high morbidity in many developing countries. The widespread emergence of multidrug-resistant (MDR) Salmonella Typhi st...
BACKGROUND: The efficacy of Curcuma wenyujin (C. wenyujin) volatile oil components in the treatment of lung diseases, including pulmonary fibrosis (PF), is gradually being recognized. However, the anti-PF potential and underlying mechanisms of curcum...
Journal of chemical theory and computation
Sep 4, 2025
Protein function is driven by transitions between metastable conformations, many of which are not conserved across homologues, offering opportunities for selective drug design. Accurately modeling both backbone and side chain metastability, and gener...
Heart failure (HF) represents a significant public health concern, characterized by elevated rates of mortality and morbidity. Recent advancements in gene sequencing technologies have led to the identification of numerous genes associated with heart ...
BACKGROUND: Sepsis is a major contributor to high morbidity and mortality, often leading to coagulation disorders (CD) in affected individuals. Baicalein, a natural compound with well-established anti-inflammatory properties, shows promise as a poten...
Journal of chemical information and modeling
Aug 27, 2025
Benzimidazole hybrids are promising antibacterial agents, but the growing problem of antibiotic resistance has led to the necessity of developing novel compounds with enhanced antimicrobial activity. This study utilizes AI methods to generate new ant...
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