Poster Presentations
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Evaluation of new thiazole derivatives as antifungal agents targeting lanosterol 14-alpha demethylase
Radu Tamaian, PhD, National Research and Deveopment Institute for Cryogenics and Isotopic Technologies - ICSI Rm. Valcea
A series of 23 newly synthesized thiazole derivatives (ANC001-023) were evaluated both in vitro and in silico for antifungal activity. The antifungal activity was tested in vitro against tree fungal strains (Candida albicans, C. krusei and C. parapsilosis) for minimum inhibitory concentration, comparatively with fluconazole. All thiazole derivatives showed in vitro a very good inhibitory activity against all fungal strains. A complementary docking study was carried out with AutoDock Vina [1] runned under a PyRx shell [2] against lanosterol 14-alpha demethylase (PDB ID: 4LXJ, resolution: 1.90 Å) [3]. Docking results showed that 8 compounds are weaker binders (Binding Affinity – BA: from -4.30 to -8.20 kcal/mol) that fluconazole (BA: -8.30 kcal/mol), meanwhile 1 compound (ANC007) exhibits the same binding affinity and 14 compounds are stronger binders (BA: from -8.60 to -11.50 kcal/mol).
Acknowledgments: this study was supported by The Executive Agency for Higher Education Research Development and Innovation Funding – UEFISCDI, Romania, on the Contract 210/2014 – Project PN-II-PT-PCCA-2013-4-2075.
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