molecular docking – Page 5

Synergistic potential and apoptosis induction of Bunium persicum essential oil and its pure components, cuminaldehyde and γ-terpinene, in combination with fluconazole on Candida albicans isolates: in vitro and in silico evaluation

mycolabadmin

Researchers studied how an essential oil from black cumin seeds (Bunium persicum) and two of its key active components could work together with the antifungal drug fluconazole to fight Candida albicans infections, including drug-resistant strains. Using laboratory tests and computer modeling, they found that cuminaldehyde, one of the main components, was particularly effective when combined with fluconazole, killing yeast cells through multiple mechanisms. This suggests that natural plant compounds could be valuable partners with conventional antifungal medications to overcome drug resistance.

Nomilin from Yuzu Seed Has In Vitro Antioxidant Activity and Downregulates Melanogenesis in B16F10 Melanoma Cells through the PKA/CREB Signaling Pathway

mycolabadmin

Scientists extracted a compound called nomilin from yuzu seeds and tested whether it could lighten skin by reducing melanin production. They found that nomilin works by blocking an enzyme called tyrosinase that makes melanin, and it reduces the activity of cell signaling pathways involved in skin darkening. The study shows nomilin could be used as a natural skin-whitening ingredient in cosmetics without the side effects of synthetic alternatives.

Fungal-derived ZnO nanoparticles functionalized with riboflavin and UDP-GlcNAc exhibit potent nematicidal activity against M. incognita

mycolabadmin

Scientists used a nematode-trapping fungus to create tiny zinc oxide particles that are highly toxic to root-knot nematodes, which damage crops worldwide. These nanoparticles are naturally coated with beneficial fungal compounds like riboflavin that enhance their pest-killing ability. The particles killed over 94% of nematodes in laboratory tests, offering a greener alternative to harsh chemical pesticides currently used in farming.

Synergistic potential and apoptosis induction of Bunium persicum essential oil and its pure components, cuminaldehyde and γ-terpinene, in combination with fluconazole on Candida albicans isolates: in vitro and in silico evaluation

mycolabadmin

Researchers tested how Bunium persicum essential oil and its components work alongside the antifungal drug fluconazole against Candida albicans infections. Cuminaldehyde, a major component of the oil, showed the strongest effects when combined with fluconazole, making infection-causing cells die faster than each substance alone. This combination approach could help overcome drug-resistant fungal infections and offers a promising natural alternative to synthetic drugs alone.

Breaking down biofilms across critical priority fungal pathogens: proteomics and computational innovation for mechanistic insights and new target discovery

mycolabadmin

This comprehensive review examines how scientists are fighting dangerous fungal infections that form protective biofilms resistant to current antifungal drugs. Researchers are using advanced protein analysis techniques (proteomics) and artificial intelligence-based computational tools to identify new targets for drug development against four critical fungal pathogens that cause life-threatening infections like meningitis and lung infections. By combining these technologies, scientists can better understand how these fungal biofilms form and develop more effective treatments.

Optimisation and Characterisation of Novel Angiotensin-Converting Enzyme Inhibitory Peptides Prepared by Double Enzymatic Hydrolysis from Agaricus bisporus Scraps

mycolabadmin

Scientists discovered three new peptides in common button mushroom scraps that can lower blood pressure by blocking an enzyme called ACE. Using special enzymes to break down mushroom proteins and then purifying the result, they created peptides with strong blood pressure-lowering activity that survive stomach digestion well. This finding turns mushroom waste into a valuable source for making natural blood pressure medications that are safer than synthetic alternatives.

β-chitosan attenuates hepatic macrophage-driven inflammation and reverses aging-related cognitive impairment

mycolabadmin

Researchers found that β-chitosan, a compound extracted from squid parietal bone, can reverse age-related memory and learning problems in mice, zebrafish, and worms. The compound works by reducing excessive inflammation in the liver and lowering inflammatory chemicals in the blood, which in turn reduces brain inflammation. This discovery suggests a direct connection between liver health and brain aging, and β-chitosan may offer a new therapeutic approach for age-related cognitive decline.

Cinchona-based liquid formulation exhibits antifungal activity through Tryptophan starvation and disruption of mitochondrial respiration in Rhizoctonia Solani

mycolabadmin

Scientists discovered that a liquid extract from Cinchona bark, which contains quinine, can effectively kill a fungus that damages rice crops. The treatment works by blocking the fungus’s ability to absorb tryptophan (an important amino acid) and damaging its energy-producing mitochondria. When tryptophan was added back to the treatment, the fungus recovered, confirming this is the main way the extract works. This natural, plant-based approach could provide an eco-friendly alternative to chemical fungicides while reducing the risk of the fungus developing resistance.

Synergistic target network construction and dynamic simulation analysis based on a prospective systems pharmacology strategy

mycolabadmin

Researchers used computer-based methods to study how Sang Huang, a traditional medicinal fungus, might help treat type 2 diabetes. They identified 17 active compounds in the fungus and found that a key component called estradiol dipropionate could improve insulin sensitivity and glucose control by activating specific protein pathways. The study suggests Sang Huang could be a promising natural treatment for diabetes, though more laboratory and animal testing is needed.

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

mycolabadmin

This research examined reishi mushroom (Ganoderma lucidum), a traditional medicinal fungus, to find rare compounds called depsidones with potential cancer-fighting properties. Scientists extracted these compounds using different solvents and tested them against four types of cancer cells (liver, colon, breast, and lung cancer), finding that they successfully killed cancer cells while being safe to normal cells. Using advanced chemical analysis and computer modeling, they identified nine new depsidone compounds in reishi and showed how these compounds could bind to cancer-related proteins to stop tumor growth.

Research Keyword: molecular docking