molecular docking – Page 2

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

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Researchers studied how Bunium persicum essential oil and two of its active components work together with the antifungal drug fluconazole to fight resistant Candida yeast infections. They found that cuminaldehyde, one of the oil’s main components, was particularly effective when combined with fluconazole and could trigger yeast cell death. These natural compounds could offer a promising new approach to treating fungal infections that have become resistant to standard medications.

Targeting SARS-CoV-2 with Chaga mushroom: An in silico study toward developing a natural antiviral compound

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This study used computer modeling to investigate whether Chaga mushroom components can bind to and potentially block the coronavirus spike protein that SARS-CoV-2 uses to infect cells. The researchers found that three active compounds in Chaga—beta glycan, betulinic acid, and galactomannan—attached strongly to the virus’s binding sites in ways similar to known antiviral molecules. Beyond blocking viral entry, Chaga also has immune-boosting and anti-inflammatory properties that could help prevent the dangerous cytokine storm associated with severe COVID-19.

Molecular Docking, Synthesis, and Tyrosinase Inhibition Activity of Acetophenone Amide: Potential Inhibitor of Melanogenesis

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Researchers developed new chemical compounds that can inhibit tyrosinase, an enzyme responsible for producing melanin (the pigment that colors skin). One compound, called 5c, proved exceptionally effective at blocking this enzyme—significantly more potent than existing skin-lightening agents. These acetophenone-based compounds could lead to improved cosmetic treatments for unwanted pigmentation like age spots and melasma, with better safety profiles than current options.

Synthesis, Physicochemical Properties and Anti-Fungal Activities of New Meso-Arylporphyrins

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Researchers created three new porphyrin compounds that effectively kill fungal infections like Candida and athlete’s foot fungi. These compounds can also generate singlet oxygen when exposed to light, making them potentially useful for photodynamic therapy treatments. Testing showed they inhibited fungal growth at relatively low concentrations, suggesting they could become new antifungal medications.

Insights into metabolic and pharmacological profiling of Aspergillus ficuum through bioinformatics and experimental techniques

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Researchers studied a fungus called Aspergillus ficuum and found it contains compounds with potential medicinal benefits. The fungal extract showed strong antibacterial activity against disease-causing bacteria and reduced inflammation in mice. Additionally, the extract had antioxidant properties that help fight harmful free radicals, with no toxic effects observed, making it a promising candidate for developing new medications.

Novel tyrosinase-inhibitory peptides derived from Locusta migratoria protein hydrolysates: Preparation, identification and molecular docking analysis

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Scientists have discovered that peptides from locusts can effectively inhibit tyrosinase, an enzyme responsible for skin pigmentation. These peptide extracts showed strong ability to prevent melanin production, comparable to existing skin-whitening agents but with much lower toxicity to normal cells. The research identified over 1100 different peptide sequences that could be useful in cosmetic and pharmaceutical products for treating age spots, freckles, and other pigmentation issues.

An Efficient Microwave Synthesis of 3-Acyl-5-bromoindole Derivatives for Controlling Monilinia fructicola and Botrytis cinerea

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Scientists created new chemical compounds based on indole structures that can kill harmful fungi that destroy fruit crops. These compounds were made more efficiently using microwave heating and tested against two major crop pathogens that cause billions of dollars in losses annually. The most promising compound (A) proved even more effective than commercial fungicides at stopping fungal growth and spore germination. This research could lead to better, safer alternatives for protecting crops from fungal diseases.

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

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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.

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.

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

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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.

Research Topic: molecular docking