Antifungal liver injury study pinpoints KDR as shared hepatotoxicity target
A retrospective cohort of 199 pulmonary mycosis patients on triazole antifungals identified baseline liver enzymes and immunocompromised status as risk ...
Tag: molecular docking
Computer screen sifts animal peptides for breast cancer drug leads
A computational pipeline filtered about 1,500 animal-derived antimicrobial peptides down to three candidates that dock strongly against the breast cancer ...
β-Cyclodextrin Strips Chlorophenol Residues from Pickled Hide
Chinese researchers report that β-cyclodextrin completely removed 2,4,5-trichlorophenol from spiked pickled cattle hide within five elution cycles while leaving the ...
Plant compounds show strong binding to diabetes drug targets in computer simulations
Computer simulations rank two plant-derived molecules as the strongest binders to PPARγ and SGLT2 receptors linked to type 2 diabetes, ...
Seaweed extracts show anti-biofilm and quorum sensing blocking activity against Aeromonas hydrophila
Three seaweed extracts showed distinct antibiofilm and quorum sensing inhibitory activities against Aeromonas hydrophila, with Ecklonia cava the strongest antibiofilm ...
Soil Fungus Aspergillus terreus MAK153 Blocks Fusarium Growth and Zearalenone, Yields Simvastatin
Soil fungus Aspergillus terreus MAK153 suppresses Fusarium oxysporum growth and zearalenone production while producing simvastatin, which docking simulations link to ...
Plant Compound Ziyuglycoside I Speeds Wound Healing by Activating Immune Cells Through GPR34 Receptor
Ziyuglycoside I, a compound from Sanguisorba officinalis L., accelerated wound closure in mice by activating GPR34 signaling in group 3 ...
New pyrazole semicarbazones show strong docking profiles against diabetes-linked enzymes
Six new pyrazole semicarbazone derivatives were synthesized, characterized spectroscopically, analyzed by DFT calculations, and docked against three carbohydrate-metabolism enzymes, with ...
Computational Map Splits Atropine’s Myopia Targets From Dry Eye Pathways
A computational study identified 57 shared and 19 myopia-specific atropine targets, linking inflammatory remodelling pathways to both myopia control and ...
PSMA PET tracers bind the same target in distinct ways, simulations and cell assays show
An integrated in silico and in vitro study finds that clinically used fluorinated PSMA PET radiopharmaceuticals share a conserved binding ...
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Mothers who receive childcare support from maternal grandparents show more parental warmth, finds NTU Singapore study
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University of Seville Breaks 120-Year-Old Mystery, Revises a Key Einstein Concept
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Bee body mass, pathogens and local climate influence heat tolerance
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Researchers record first-ever images and data of a shark experiencing a boat strike
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Groundbreaking Clinical Trial Reveals Lubiprostone Enhances Kidney Function
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