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The Malarial Drug Target Plasmodium falciparum 1-Deoxy-D-Xylulose-5- Phosphate Reductoisomerase (PfDXR): Development of a 3-D Model for Identification of Novel, Structural and Functional Features and for Inhibitor Screening

Goble, Jessica L and Adendorff, Matthew R and de Beer, Tjaart A. P and Stephens, Linda L and Blatch, Gregory L (2010) The Malarial Drug Target Plasmodium falciparum 1-Deoxy-D-Xylulose-5- Phosphate Reductoisomerase (PfDXR): Development of a 3-D Model for Identification of Novel, Structural and Functional Features and for Inhibitor Screening. Protein and Peptide Letters, 17 (1). pp. 109-120. ISSN 0929-8665 (print) 1875-5305 (online)

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Abstract

A three-dimensional model of the malarial drug target protein PfDXR was generated, and validated using structure-checking programs and protein docking studies. Structural and functional features unique to PfDXR were identified using the model and comparative sequence analyses with apicomplexan and non-apicomplexan DXR proteins. Furthermore, we have used the model to develop an efficient approach to screen for potential tool compounds for use in the rational design of novel DXR inhibitors.

Item Type: Article
Uncontrolled Keywords: ResPubID22188, PfDXR, antimalarial, apicomplexan, inhibitors, fosmidomycin, binding affinity, IC50
Subjects: Faculty/School/Research Centre/Department > School of Biomedical and Health Sciences
FOR Classification > 1101 Medical Biochemistry and Metabolomics
Depositing User: VUIR
Date Deposited: 12 Jul 2012 05:07
Last Modified: 05 Feb 2015 03:53
URI: http://vuir.vu.edu.au/id/eprint/8134
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Citations in Scopus: 3 - View on Scopus

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