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Computational Design, Molecular Modeling and Synthesis of New 1, 2, 4 –Triazole Analogs with Potential Antifungal Activities


Affiliations
1 Departments of Pharmaceutical Organic Chemistry, University of Mansoura, Mansoura 35516, Egypt
2 Departments of Microbiology, University of Mansoura, Mansoura 35516, Egypt
 

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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  • Computational Design, Molecular Modeling and Synthesis of New 1, 2, 4 –Triazole Analogs with Potential Antifungal Activities

Abstract Views: 264  |  PDF Views: 178

Authors

Sherin M. El-Feky
Departments of Pharmaceutical Organic Chemistry, University of Mansoura, Mansoura 35516, Egypt
Laila A. Abou-Zeid
Departments of Pharmaceutical Organic Chemistry, University of Mansoura, Mansoura 35516, Egypt
Mohamed A. Massoud
Departments of Pharmaceutical Organic Chemistry, University of Mansoura, Mansoura 35516, Egypt
Shady G. Shokralla
Departments of Microbiology, University of Mansoura, Mansoura 35516, Egypt
Hassan M. Eisa
Departments of Pharmaceutical Organic Chemistry, University of Mansoura, Mansoura 35516, Egypt

Abstract


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.