molecular docking – mycolab.ai

Ganoapplanilactone C from Ganoderma applanatum Ameliorates Metabolic Dysfunction-Associated Steatotic Liver Disease via AMPK/mTOR-Mediated Lipid Regulation in Zebrafish

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Researchers found that a compound called ganoapplanilactone C from the medicinal mushroom Ganoderma applanatum can protect the liver from fat accumulation and damage caused by high-fat diets. In zebrafish studies, this compound worked better than a common cholesterol drug at reducing liver fat and improving liver health. The compound appears to work by activating a protein called AMPK that helps regulate how the body processes fats and reduces inflammation.

Decursin, Identified via High-Throughput Chemical Screening, Enhances Plant Disease Resistance via Two Independent Mechanisms

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Researchers identified a natural compound called decursin from angelica plants that helps plants fight off dangerous fungal infections in two ways: it strengthens the plant’s own immune system and directly kills the fungal pathogens. This dual-action approach makes decursin a promising natural alternative to synthetic fungicides for protecting crops like wheat and tomatoes from diseases. The compound shows particular promise because it comes from plants, breaks down easily in the environment, and is more effective than other natural antimicrobial compounds currently used in agriculture.

Silk-based microparticles for the adsorption of methylene blue: formulations, characterization, adsorption study, in silico molecular docking, and molecular dynamics simulation

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This research demonstrates that microparticles made from silk fibroin, a protein derived from silkworm cocoons, are exceptionally effective at removing methylene blue dye from water. The silk-based particles work about 32 times better than other forms of silk and can absorb large amounts of the toxic dye. Scientists used computer simulations to understand exactly how the silk protein attracts and binds the dye molecules, providing insights for creating even better eco-friendly water treatment materials.

Prognostic model for gastric cancer patients with COVID-19 and network pharmacology study on treatment by lentinan

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This study investigated how lentinan, a compound from shiitake mushrooms, might help treat patients who have both gastric cancer and COVID-19. Researchers identified five genes that predict patient outcomes and found that lentinan may work by controlling immune cell activity and reducing inflammation. The study suggests lentinan could be a useful additional treatment for this challenging combination of diseases, though more research is needed.

Molecular docking as a tool for the discovery of molecular targets of nutraceuticals in diseases management

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This review explains how scientists use computer simulations to understand how natural food compounds (called nutraceuticals) interact with disease-causing molecules in the body. By using molecular docking software, researchers can predict which compounds might fight diseases like cancer and heart disease before conducting expensive laboratory tests. The review shows that many common foods like turmeric, grapes, and green tea contain compounds that could potentially treat various diseases by targeting specific proteins and pathways involved in disease development.

Decoding of novel umami-enhancing peptides from Hericium Erinaceus and its mechanisms by virtual screening, multisensory techniques, and molecular simulation approaches

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Researchers discovered four special proteins (peptides) from lion’s mane mushrooms that can enhance the savory umami taste of foods while potentially allowing for less salt in products. These peptides work by helping salt compounds stick better to taste receptors in your mouth. This discovery could help food companies create healthier products with better flavor but lower sodium content, reducing the health risks associated with excessive salt consumption.

Enhancing the Substrate Adaptability of Laccase through Ancestral Sequence Reconstruction for Applications in Mycotoxin Detoxification

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Researchers used evolutionary analysis to redesign a fungal enzyme called laccase to better detoxify harmful mold toxins found in grains. The new engineered enzyme (LacANC278) can break down both aflatoxin and zearalenone toxins much more effectively than the original enzyme, and converts them into less harmful substances. This enzyme works without expensive helper chemicals and works well at room temperature, making it practical for treating contaminated corn and other grains.

Development and preliminary mechanistic analysis of compound effervescent hepatoprotective granules

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Researchers developed a new health product combining three medicinal plants to protect the liver from injury. The mixture contains effective compounds that reduce liver inflammation, fight harmful oxidative stress, and protect liver cells from damage. Studies in rats showed the product improved liver function and reduced markers of liver damage, suggesting it could be useful for preventing and treating liver injuries caused by drugs, alcohol, or toxins.

The Bright Side of Psychedelics: Latest Advances and Challenges in Neuropharmacology

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Researchers are rediscovering psychedelic compounds from traditional plants and fungi as potential treatments for mental health conditions and addiction. These substances work by interacting with brain chemistry, particularly serotonin systems, to reduce symptoms of depression, anxiety, and drug cravings. Recent clinical studies show promising results, especially for treating opioid addiction with single doses that can produce lasting improvements. However, more rigorous clinical trials are needed to fully understand how these compounds work and to establish safe, effective therapeutic protocols.

Potential Cosmetic Applications of the Combined Extract of Panax ginseng, Ganoderma lucidum, Cordyceps militaris, and Several Asian Plants

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Researchers created a combination extract from four Asian plants including ginseng, medicinal mushrooms, and other herbs to treat acne. They tested this blend in laboratories and found it effectively killed acne-causing bacteria, reduced skin inflammation, repaired the skin barrier, and reduced oily skin production. The extract was safe for skin cells and appeared to work as well as or better than standard treatments.

Research Keyword: molecular docking