Mulberry Compounds Outdock a Clinical Cancer Drug in CDK1 Simulation Study
A computational study finds that mulberry phytochemicals mulberrofuran L and X bind the cancer-critical CDK1 protein more stably than the ...
Tag: molecular docking
Castor Plant Chemistry Shows Surprising Anti-Inflammatory Power in Lab Tests
A new study combines LC-MS profiling, protein denaturation assays, and molecular dynamics simulations to reveal that castor plant formulations contain ...
Computers Take the Guesswork Out of Antisense Drug Design
A new review maps how computational tools, from RNA folding algorithms to molecular dynamics simulations, are transforming the design of ...
Isoniazid Reborn: Computational Design Yields a Schiff Base Lead That Outperforms a First-Line TB Drug
A virtual library of 30 isoniazid-based Schiff base derivatives was computationally screened, and the top-ranked compound SLB-5 was synthesized and ...
New Coumarin Compounds Show Powerful Multitarget Potential Against Skin Aging
Chemists have created a coumarin-based compound that inhibits tyrosinase twenty times more potently than kojic acid while also blocking the ...
Ancient Chinese Medicine Compounds Turned Into Next-Generation Antibiotic Candidates by AI
Researchers used machine learning, docking, and molecular dynamics to transform Traditional Chinese Medicine compounds into optimized computational leads against E. ...
Metarrestin’s Anti-Cancer Mechanism Mapped Through Network Pharmacology
A new network pharmacology study maps how the anti-metastatic drug metarrestin rewires cancer cell protein networks and identifies the cell-cycle ...
Plant Compound Salvianolic Acid B Shields Heart Cells From Sugar-Driven Inflammatory Cell Death
New research shows that salvianolic acid B, a polyphenol from red sage, protects human heart muscle cells from high-glucose injury ...
Green Solvent and Supercomputer Simulations Unlock a Stubborn Tea Enzyme
Researchers replaced toxic t-butanol with a menthol-octanoic acid deep eutectic solvent to purify tea membrane-bound polyphenol oxidase 17-fold, using molecular ...
A Tiny Glycine Repeat May Have Helped Mammals Grow Hair, Study Suggests
Researchers report that a polyglycine repeat inserted into the Hoxc13 transcription factor during mammalian evolution dramatically expanded its genome-wide DNA ...
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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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