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Computational Design, Molecular Modeling and Synthesis of New 1, 2, 4 –Triazole Analogs with Potential Antifungal Activities
A new series of triazoles were synthesized and evaluated for both antifungal and antibacterial activity. All compounds tested showed considerable antifungal activity against micromycetes, compared to the commercial fungicide, Fluconazole. Computational studies indicated that the designed compounds interact with 1EA1 enzyme active site through hydrophilic, van der Waals and hydrogen bond recognition. Compound 5a performed highest antifungal activity against C. Albicans.
Keywords
Triazoles, Antifungal, Antibacterial, Molecular Modeling, Catalytic Triad Recognition.
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