Research Topic: molecular docking

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.

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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.

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Quest for Anti-SARS-CoV-2 antiviral therapeutics: in-silico and in-vitro analysis of edible mushroom- Cordyceps militaris

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Researchers tested an edible mushroom called Cordyceps militaris to see if it could fight SARS-CoV-2, the virus that causes COVID-19. Using computer modeling and laboratory experiments, they found that a compound in the mushroom called cordycepin strongly attached to the virus’s spike protein and reduced viral numbers by about 50% in cell cultures. The study supports traditional uses of this mushroom and suggests it could be helpful in managing COVID-19 as the disease becomes endemic.

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Comparative Multi-Omics Analysis and Antitumor Activity of Phylloporia crataegi and Phylloporia fontanesiae

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Two species of medicinal fungi were studied to understand why one was better at fighting cancer cells. Researchers analyzed the chemicals, genes, and proteins in both fungi and found that Phylloporia crataegi had much higher levels of cancer-fighting compounds and activated special cellular defense pathways that harm cancer cells. This research shows that medicinal fungi could be promising sources for developing new cancer treatments.

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Biological and Cheminformatics Studies of Newly Designed Triazole Based Derivatives as Potent Inhibitors against Mushroom Tyrosinase

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Researchers developed new chemical compounds based on triazole structures to inhibit tyrosinase, an enzyme that produces melanin in skin. One compound (9h) proved particularly effective at blocking this enzyme, working 170 times better than the standard drug kojic acid. Computer modeling showed how this compound fits into the enzyme’s active site. These findings could lead to safer and more effective treatments for skin discoloration disorders like melasma and age spots.

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Acetophenone-Based 3,4-Dihydropyrimidine-2(1H)-Thione as Potential Inhibitor of Tyrosinase and Ribonucleotide Reductase: Facile Synthesis, Crystal Structure, In-Vitro and In-Silico Investigations

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Scientists created a new chemical compound that shows promise in fighting skin cancer, particularly melanoma. The compound is seven times more effective at blocking tyrosinase, an enzyme involved in skin pigmentation and cancer growth, compared to existing drugs. Computer simulations and laboratory tests confirmed that this compound can also interfere with DNA replication processes that cancer cells depend on, suggesting it could be developed into a new cancer treatment with fewer side effects.

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