molecular docking – Page 2

From Mushrooms to Molecules: Exploring Depsidones in Ganoderma lucidum for Antioxidant and Anticancer Applications

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Researchers studied a medicinal mushroom called Ganoderma lucidum to identify compounds that could fight cancer. They found nine rare compounds called depsidones that showed promise against different types of cancer cells, including liver, colon, breast, and lung cancer. The compounds were shown to work by binding to cancer-related proteins, suggesting they could be developed into new cancer treatments.

Indole-Based Compounds as Potential Drug Candidates for SARS-CoV-2

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Scientists are searching for new treatments for COVID-19 by studying indole-containing compounds, which are found in many plants and can be made in laboratories. Some approved drugs with indole structures, like the antiviral drug Arbidol, have been repurposed to fight COVID-19. Researchers are also designing new indole compounds and using computer simulations to predict which ones might work best against the virus’s key proteins.

Essential Oil of Xylopia frutescens Controls Rice Sheath Blight Without Harming the Beneficial Biocontrol Agent Trichoderma asperellum

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Researchers discovered that oil extracted from leaves of a Brazilian plant called Xylopia frutescens effectively kills the fungus that causes rice sheath blight, a serious disease that can destroy rice crops. The oil contains two main compounds that work against the fungus and can be applied before or after infection to prevent or treat the disease. Importantly, the oil doesn’t harm beneficial fungi like Trichoderma asperellum that farmers use as natural pest control, making it an environmentally friendly alternative to chemical fungicides.

Whey Proteins and Bioactive Peptides: Advances in Production, Selection and Bioactivity Profiling

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Whey, a liquid byproduct from cheese-making that was once considered waste, contains valuable proteins that can be broken down into smaller bioactive peptides. These peptides have numerous health benefits including antimicrobial, anti-inflammatory, and antioxidant properties, and can be used in functional foods and medicines. Researchers are developing advanced techniques to extract and produce these peptides more efficiently, and using computer models to predict which peptides will have specific health benefits.

Efficacy of Lacticaseibacillus rhamnosus probiotic strains in treating chromate induced dermatitis

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This research shows that a beneficial bacteria called Lacticaseibacillus rhamnosus can help treat skin problems caused by chromate exposure, a common hazard for construction workers and factory employees. The bacteria work by reducing toxic chromate to a less harmful form through a special protein called flavin reductase. When tested on mice with chromate-induced skin damage, the probiotic treatment significantly improved skin healing and reduced inflammation. This suggests these beneficial bacteria could offer a safe, natural treatment for occupational skin conditions caused by heavy metal exposure.

Lentinan inhibits colorectal cancer stemness by binding CD133 and suppressing the CD133/p85/p-AKT signaling axis

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Researchers discovered that lentinan, a natural compound from shiitake mushrooms, can specifically target and kill cancer stem cells in colorectal cancer by binding to a protein called CD133. This is significant because cancer stem cells are the reason why cancers come back even after treatment. By blocking a specific pathway these cells use to survive, lentinan may help prevent cancer recurrence and reduce the side effects associated with traditional chemotherapy.

The molecular mechanisms through which psilocybin prevents suicide: evidence from network pharmacology and molecular docking analyses

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Researchers used computer-based analysis to understand how psilocybin, a compound found in certain mushrooms, might help prevent suicide. They identified four key proteins that psilocybin interacts with and found that it works through serotonin and calcium signaling pathways in the brain, which are known to be involved in depression and suicidal behavior. While these findings are promising, more research is needed to confirm these effects in humans before psilocybin can be used clinically for suicide prevention.

Emerging paradigms for target discovery of traditional medicines: A genome-wide pan-GPCR perspective

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Traditional medicines from plants, animals, and fungi contain chemical compounds that can interact with specific proteins in our cells called G protein-coupled receptors (GPCRs). These receptors control many important body functions and are targeted by about one-third of all FDA-approved medications. This review explains how scientists are discovering new therapeutic compounds from traditional medicines by systematically screening them against the complete library of human GPCRs, using advanced techniques to identify which compounds bind to which receptors. Famous examples include morphine from poppies for pain relief and compounds from ginseng that help regulate blood sugar.

Evaluation of Antibiotic Biodegradation by a Versatile and Highly Active Recombinant Laccase from the Thermoalkaliphilic Bacterium Bacillus sp. FNT

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Scientists have developed a special enzyme from heat-loving bacteria that can break down tetracycline antibiotics in wastewater. Using this enzyme called FNTL along with a natural chemical helper called acetosyringone, they were able to eliminate over 90% of tetracycline in laboratory tests. This breakthrough offers a promising new way to clean up pharmaceutical pollution in water, which is important because antibiotics in the environment can contribute to the development of antibiotic-resistant bacteria.

Genome-Wide Characterization and Expression Profiling of Phytosulfokine Receptor Genes (PSKRs) in Triticum aestivum with Docking Simulations of Their Interactions with Phytosulfokine (PSK): A Bioinformatics Study

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This study mapped and analyzed receptor genes in wheat that respond to a natural plant hormone called phytosulfokine. Researchers identified 57 versions of these receptor genes distributed across wheat’s genome and found they are most active in roots and leaves at different growth stages. Computer modeling showed how the plant hormone binds to its receptors. These findings could help develop wheat varieties that grow better and handle stress more effectively.

Research Keyword: molecular docking