Reports from University of Trieste, Department of Pharmaceutical Sciences add new data to research in antifungals
2008 JAN 29 -- New research, 'Synthesis, antifungal and antimycobacterial activities of new bis-imidazole derivatives, and prediction of their binding to P450(14DM) by molecular docking and MM/PBSA method,' is the subject of a report. According to recent research published in the journal Bioorganic & Medicinal Chemistry, "New bis-imidazole derivatives have been synthesized and their antifungal and antimycobacterial activity was determined. Almost all compounds exhibited a moderate to good activity against two clinical isolates of Candida albicans 3038 and Candida glabrata 123." "The same compounds showed an interesting killing activity against Mycobacterium tuberculosis H(37)Rv reference strain. Docking procedures combined with molecular dynamics simulations in the MM/PBSA framework of theory were applied to predict the binding mode of all compounds in the binding pocket of the cytochrome P450 14alpha-sterol demethylase (14DM) of C. albicans, for which no ligand-protein crystal structure is currently available," wrote D. Zampieri and colleagues, University of Trieste, Department of Pharmaceutical Sciences. The researchers concluded: "The results obtained in silico showed that the active compounds may interact at the active site of protein, and that their binding free energy values are in agreement with the corresponding experimental activity values." Zampieri and colleagues published their study in Bioorganic & Medicinal Chemistry (Synthesis, antifungal and antimycobacterial activities of new bis-imidazole derivatives, and prediction of their binding to P450(14DM) by molecular docking and MM/PBSA method. Bioorganic & Medicinal Chemistry, 2007;15(23):7444-58). For additional information, contact D. Zampieri, University of Trieste, Dept. of Pharmaceutical Sciences, Piazzale Europa 1, 34127 Trieste, Italy. The publisher's contact information for the journal Bioorganic & Medicinal Chemistry is: Pergamon-Elsevier Science Ltd., the Boulevard, Langford Lane, Kidlington, Oxford OX5 1GB, England. Keywords: Italy, Trieste, Antifungals, Cutaneous Tuberculosis, Imidazole, Medicinal Chemistry, Pharmaceutical Sciences, Pharmaceuticals, Therapy, Treatment. This article was prepared by World Disease Weekly editors from staff and other reports. Copyright 2008, World Disease Weekly via NewsRx.com.
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