molecular docking – Page 7

Taxonomic characterization and cytotoxic potential of Vietnamese Ganoderma ellipsoideum against human breast cancer MCF-7 cells

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Scientists discovered a mushroom species called Ganoderma ellipsoideum in Vietnam that shows promise in fighting breast cancer. When tested on cancer cells in the laboratory, extracts from this mushroom killed cancer cells effectively. Computer modeling showed that compounds from this mushroom fit perfectly into and block proteins that help cancer cells grow and spread. This discovery suggests the mushroom could be a natural source for developing new cancer drugs.

Design, synthesis, and antimicrobial evaluation of novel 1,2,4-triazole thioether derivatives with a 1,3,4-thiadiazole skeleton

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Scientists created 17 new chemical compounds that can fight harmful fungi and bacteria that damage plants. One of these compounds, called 9d, proved to be even more effective than existing commercial pesticides at fighting plant diseases. Tests on kiwifruit showed that this new compound could protect and treat bacterial infections better than currently available treatments. These new compounds could help protect crops and reduce reliance on older pesticides.

Specific Foods Associated with Depressive Symptoms among Young Adults and Their Bioactive Effects

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This research examined how specific everyday foods like milk, eggs, bananas, oranges, sweet potatoes, mushrooms, and kimchi may help reduce depression symptoms in young adults. The study found that people eating more of these foods had significantly lower rates of depression. These foods contain natural compounds like vitamins, minerals, and antioxidants that support brain health and mood regulation. While more research is needed, the findings suggest that dietary choices could be an important part of managing depression.

Inhibition of RNase to Attenuate Fungal-Manipulated Rhizosphere Microbiome and Diseases

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Fusarium fungi cause major crop diseases by using a protein called Fg12 that kills helpful bacteria in plant roots, making it easier for the fungus to infect crops. Scientists discovered that a compound called GMP blocks Fg12’s harmful activity and restores beneficial bacteria, reducing disease symptoms in soybeans and alfalfa by 47-75%. This discovery offers a new chemical strategy to protect crops from fungal infections by disarming this key fungal weapon.

New Positive TRPC6 Modulator Penetrates Blood–Brain Barrier, Eliminates Synaptic Deficiency and Restores Memory Deficit in 5xFAD Mice

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Researchers developed a new drug candidate called C20 that activates TRPC6 proteins in the brain. In studies with Alzheimer’s disease mouse models, C20 protected nerve connections from damage, restored memory function, and successfully crossed the blood-brain barrier. The compound shows promise as a potential treatment for Alzheimer’s disease by strengthening the connections between brain cells that are damaged in the disease.

Eco-friendly biosynthesis of silver nanoparticles using marine-derived Fusarium equiseti: optimization, characterization, and evaluation of antimicrobial, antioxidant, and cytotoxic activities

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Scientists used a marine fungus called Fusarium equiseti to create tiny silver particles called nanoparticles in an environmentally-friendly way. These particles showed strong abilities to kill harmful bacteria and fungi, protect cells from damage caused by free radicals, and fight breast cancer cells in laboratory tests. This green synthesis method offers a safer, non-toxic alternative to traditional chemical manufacturing while producing stable, multi-functional nanoparticles.

Evaluating the antioxidant, anti-inflammatory, and neuroprotective potential of fruiting body and mycelium extracts from edible yellow morel (Morchella esculenta L. Pers.)

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This study examined morel mushrooms from Pakistan to see if they could help treat Alzheimer’s disease and related brain conditions. Researchers tested both the fruiting bodies and the root-like mycelia of Morchella esculenta mushrooms for their ability to fight oxidative stress, reduce inflammation, and inhibit an enzyme that breaks down acetylcholine, a brain chemical important for memory. The results showed that morel extracts, especially from fruiting bodies collected in certain regions, worked as well as or better than conventional medications, suggesting these common edible mushrooms could be developed into treatments for neurodegenerative diseases.

Interplay of precision therapeutics and MD study: Calocybe indica’s potentials against cervical cancer and its interaction with VEGF via octadecanoic acid

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Researchers discovered that an extract from the Calocybe indica mushroom effectively kills cervical cancer cells while leaving healthy immune cells unharmed. Using computer simulations, they identified that a compound in this mushroom called octadecanoic acid strongly binds to and blocks VEGF, a protein that helps cancer cells grow and spread. The extract reduced cancer cell movement by 50% and prevented cancer cells from forming colonies, suggesting this mushroom could become a new treatment option for cervical cancer.

Identification of potential neuroprotective compound from Ganoderma lucidum extract targeting microtubule affinity regulation kinase 4 involved in Alzheimer’s disease through molecular dynamics simulation and MMGBSA

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Researchers used computer simulations to test five compounds from Reishi mushrooms against Alzheimer’s disease. They found that two compounds, ganoderic acid A and ganoderenic acid B, showed strong potential for blocking a harmful protein involved in the disease. These findings suggest Reishi mushrooms could be a source for new Alzheimer’s treatments, though further laboratory testing is needed.

Encapsulation of progesterone in reishi mushroom composite for optimized hormone replacement and targeted anticancer therapy

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Researchers created a new treatment by combining progesterone (a hormone) with reishi mushroom powder to make it work better in the body. The mushroom acts like a protective wrapper that slowly releases the hormone, making it more effective for treating menopausal symptoms and fighting breast cancer cells. The combination also fights harmful bacteria and fungi while remaining stable during storage. This approach combines traditional medicine with modern pharmaceutical science.

Research Keyword: molecular docking