Microtubules (MTs) play a crucial role in mitosis and are composed of α-/β-tubulin heterodimeric subunits. In eukaryotes, eight α-tubulin and ten β-tubulin isotypes have been reported, each displaying tissue-specific expression patterns. Among them, ...
Extended-spectrum β-lactamases in Escherichia coli poses a significant threat for clinicians in tertiary healthcare settings, rendering treatments ineffective with newer β-lactam-β-lactamase inhibitors combinations. To overcome this, the present stud...
Bone cancer pain (BCP) is a complex condition that severely affects patients' quality of life, and its treatment remains challenging. Astaxanthin, a potent antioxidant with anti-inflammatory and neuroprotective effects, and celecoxib, a selective COX...
Colorectal cancer is one of the leading causes of cancer-related deaths worldwide, mainly due to aberrant Wnt/β-catenin signaling resulting from APC mutations. Tankyrase is a key regulator of this pathway and plays a crucial role in stabilizing AXIN,...
BACKGROUND: Chronic allergic rhinitis and asthma syndrome (CARAS) is a comorbid inflammatory condition affecting both upper and lower airways, with limited treatment options. Artesunate (ART), a derivative of artemisinin, has shown anti-inflammatory ...
Journal of chemical information and modeling
Sep 18, 2025
Protein-protein interactions play pivotal roles in a wide range of biological processes. Determining the atomic-level structures of protein-protein complexes is indispensable for elucidating macromolecular interaction mechanisms and advancing structu...
European journal of medicinal chemistry
Sep 17, 2025
Developing optimized AI models for virtual screening requires coordinated selection of algorithms, molecular representations, and data splitting strategies, yet lacks integrated tools. We present PyaiVS, a Python package that integrates nine machine ...
Journal of chemical information and modeling
Sep 16, 2025
Rigid docking remains the most popular method of predicting protein-protein interactions in cases when experimental 3D structures of the complexes are not available. The docking often relies on known unbound (Apo) protein structures, which may differ...
Phytomedicine : international journal of phytotherapy and phytopharmacology
Sep 15, 2025
BACKGROUND: Parkinson's disease (PD) is a progressive neurodegenerative disorder with increasing global prevalence. Chaihu-shugan-san (CSS) is a Chinese medicine compound with reported neuroprotective properties. However, the precise bioactive consti...
Phytomedicine : international journal of phytotherapy and phytopharmacology
Sep 15, 2025
INTRODUCTION: The global rise of antimicrobial resistance (AMR), particularly among biofilm-forming bacteria and fungi, has created an urgent need for novel therapeutics. Nordihydroguaiaretic acid (NDGA), a plant-derived polyphenolic lignan, has demo...
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