Natural Alkaloids Show Promise as Disruptors of Bacterial Quorum Sensing
A computational study finds that the natural alkaloids lanoginosine and liriodenine bind strongly and stably to the AgrA LytTR domain ...
Tag: molecular docking
Tree Seed Compound Karanjin Pushes Cancer Cells Into Oxidative Overload and Self-Destruction
A new study shows that the Pongamia pinnata-derived flavonoid karanjin selectively kills breast, lung, and colorectal cancer cells by inducing ...
Traditional Cough Remedy Decoded: How Zhike Pipa Granules Fight Bronchitis at the Molecular Level
Researchers combined mouse experiments, network pharmacology, and molecular docking to show that the traditional Chinese medicine Zhike Pipa Granules relieve ...
Ancient Seed Oil Trapped in Nanoparticles Wipes Out Two Deadly Superbugs
Researchers have encapsulated antibacterial ajwain essential oil in chitosan nanoparticles embedded in a hydrogel that completely inhibits Staphylococcus aureus and ...
Virtual Lab Hunts New Anti-Sickling Drug Candidates for Sickle Cell Disease
Indian researchers used bioisosteric design, docking, ADMET screening, molecular dynamics and DFT calculations to identify two hybrid molecules that bind ...
Sweetpotato Leaves Revealed as Potent Fat-Blocking Compounds Vary by Variety
A survey of 22 Chinese sweetpotato cultivars shows that resin glycosides in the crop's discarded leaves and stems vary dramatically ...
Milkweed Sap Yields Anti-Inflammatory Molecules That Dock onto Key Enzymes
Chemical profiling and molecular docking of Calotropis gigantea latex sap reveal that abundant phytocompounds such as phytol and diisobutyl phthalate ...
Zinc Complexes Emerge as Safer Rivals to Platinum Cancer Drugs, Landmark Review Finds
A systematic review of 66 zinc(II) Schiff base complexes shows that octahedral geometry and red-shifted imine infrared signatures predict potent, ...
Machine Learning Hunt Uncovers Three Molecular Culprits Behind Toxic Herb Kidney Disease
A combined network toxicology, machine learning, and experimental study has identified FABP3, PDE4B, and SLC1A3 as core candidate targets underlying ...
Scientists Discover an Umami Peptide from Sea Cucumber That Also Fights Inflammation in Cells
Researchers used flavoromics, bioinformatics, molecular simulation, and cell assays to identify a sea cucumber peptide, FDRGF, that delivers strong umami ...
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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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