原创力文档blastomyces dermatitidis chitinase homology model, in silico docking, and inhibition assay皮炎芽生菌几丁质酶同源性模型,在硅片对接,抑制试验.pdfVIP
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blastomyces dermatitidis chitinase homology model, in silico docking, and inhibition assay皮炎芽生菌几丁质酶同源性模型,在硅片对接,抑制试验
Open Journal of Medical Microbiology, 2012, 2, 1-7
/10.4236/ojmm.2012.21001 Published Online March 2012 (http ://www.SciRP.org/journal/ojmm)
Blastomyces dermatitidis : Chitinase Homology Model,
in Silico Docking, and Inhibition Assay
Amanda J. Searle, Vern Winston, Gene M. Scalarone
Department of Biological Science, Idaho State University, Idaho, USA
Email: hillama2@
Received January 4, 2012; revised January 20, 2012; accepted February 4, 2012
ABSTRACT
Blastomyces dermatitidis is a thermally dimorphic fungus that causes the disease blastomycosis. Currently there are a
limited number of effective treatments, many of which have harsh side effects. Chitin, a component of the fungal cell
wall is often broken down and recycled for cell wall remodeling and growth. Chitinase is the digestive enzyme capable
of chitin hydrolysis. By inhibiting the chitinase we predicted that cells wouldn’t be able to divide and multiply normally,
thereby leading to possible anti-fungal treatments. For this study we modeled the structure of B. dermatitidis chitinase,
using homology modeling. By predicting a three-dimensional structure we were able to do additional analyses of the
active site of the chitinase and predict the binding of a possible small molecule, acetazolamide, in silico. This binding
allowed us to predict that this molecule might be capable of inhibiting the chitinase of B. dermatitidis . This inhibition
was tested in vivo. No difference in the growth curves of the test and control organisms was observed, however there
was a difference within the cell walls of the yeast cells. The cell walls appeared thicker with additional differences in
cell wall orderly growth. These changes are consistent with changes that may occur as B. dermatitidis chitinases are
inhibited.
Keywor
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