Computational Vaccine Design Targets Toxoplasma’s Dense Granule Arsenal
Researchers have computationally designed a multi-epitope vaccine candidate against Toxoplasma gondii built from six dense granule antigens, with the lead ...
Tag: molecular docking
Chalcone Library Yields Nanomolar MAO-B Inhibitors for Neurodegeneration
Researchers have identified a morpholine-substituted chalcone, TC12, that inhibits monoamine oxidase B at 11 nanomolar with over 3,600-fold selectivity and ...
Common Antihistamine Shows Surprising Optical Talents in Quantum Simulation
A DFT-driven study of the antihistamine hydroxyzine reveals a nonlinear optical response several times stronger than urea, hinting that everyday ...
Plant Compound Monotropein Shows Promise Against Stroke Damage by Taming a Key Inflammasome
A new rat study finds that monotropein, a compound from the medicinal plant Morinda officinalis, protects the brain from ischemia/reperfusion ...
Grilled and Smoked Food Carcinogen Benzo[a]pyrene Linked to Prostate Cancer Through Four Key Genes
A network toxicology and machine learning study identifies four genes through which the environmental carcinogen benzopyrene may drive prostate cancer ...
Common Medicinal Plant Shows Promise Against Cobra Venom in New Study
A hydromethanolic extract of Plumbago zeylanica aerial parts inhibited key cobra venom enzymes, prolonged survival in envenomated mice and showed ...
Scientists Build Virtual Spacecraft to Predict Toxic Chemical Risks to Astronauts
A new simulation framework combining computational fluid dynamics, molecular docking, and Monte Carlo risk modeling predicts how airborne chemical contaminants ...
Gut Microbe Metabolites May Reach Bone Cells Through an AKT1 Signaling Network
A new computational framework traces candidate routes from specific gut bacteria and their metabolites to osteoporosis-related signaling hubs, with independent ...
Microbial Natural Products Yield Promising Dual Drug Candidates for Diabetes and Liver Disease
A computational screen of more than 36,000 microbial natural products identified six potential GSK-3β inhibitors as candidate dual therapeutics for ...
Computational Hunt Finds Candidate Molecule Striking Two Key Alzheimer’s Enzymes at Once
A computational screening pipeline identified compound H34 as a promising dual inhibitor of acetylcholinesterase and monoacylglycerol lipase for Alzheimer's disease ...
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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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