ACTA Pharmaceutica Sciencia 2010 , Vol 52 , Num 3
SYNTHESIS, MOLECULAR MODELING OF NOVEL 1,2,4-TRIAZOLE DERIVATIVES WITH POTENTIAL ANTIMICROBIAL AND ANTIVIRAL ACTIVITIES
SHERİN M EL-FEKY, LAİLA A ABOU-ZEİD, MOHAMED A MASSOUD, SHADY G SHOKRALLA, HASSAN M EİSA
Departments of Pharmaceutical Organic Chemistry, University of Mansoura, Mansoura, Egypt A new series of 3,5-disubstituted triazoles were synthesized and evaluated for in vitro antifungal and antibacterial activity. All compounds tested showed significant antifungal activity against micromycetes, compared to the commercial fungicide, clotrimazol. The binding modes of the docked compounds at the active site of 1EA1 enzyme were examined and the recognition modes of these new analogs with the catalytic triad amino acids were explored. Compound 8b performed highest antifungal activity against C. albicans and antibacterial activity against S. aureus. Keywords : TRIAZOLES; ANTIFUNGAL; ANTIBACTERIAL; MOLECULAR MODELING; CATALYTIC TRIAD RECOGNITION; LIPOPHILICITY

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