Docking study on Candida albicans
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A docking study on Candida albicans involves investigating interactions between various compounds and specific targets within the fungus. Studies have explored the molecular interactions of compounds like benzo[g]quinazolines , terpenoids like α-pinene , and polyphenols such as theaflavins and 3-o-malonylglucoside with key fungal proteins or enzymes. These docking studies aim to understand how these compounds bind to crucial targets like CYP51, thymidylate synthase, δ-14-sterol reductase, and glucosamine-6-phosphate synthase in Candida albicans. The outcomes of these docking studies provide insights into the potential efficacy of these compounds as antifungal agents by disrupting essential fungal processes, inhibiting biofilm formation, and impacting virulence factors, ultimately offering promising avenues for the development of novel antifungal therapeutics .
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| The study conducted docking analysis on polyphenols targeting glucosamine-6-phosphate synthase in Candida albicans, identifying theaflavins and 3-o-malonylglucoside as potential ligands with significant binding affinity. | |
| In silico study on Sungkai leaves compounds revealed potential inhibition of Lanosterol 14-α demethylase in Candida albicans through molecular docking, identifying terpenoids, flavonoids, and phenols as active compounds. | |
| Docking study conducted on benzo[g]quinazolines 1-6 with Candida spp. CYP51 showed binding at the active site, similar to fluconazole and VT-1161, indicating potential antifungal activity. | |
| Molecular docking identified critical residues in Candida albicans Cyr1 for peptidoglycan recognition, linking to hyphal growth regulation and virulence, suggesting potential anti-virulence therapeutic targets. |
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