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

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Goble, Jessica L, Adendorff, Matthew R, de Beer, Tjaart A. P, Stephens, Linda L and Blatch, Gregory ORCID logoORCID: https://orcid.org/0000-0003-0778-8577 (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)

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
URI https://vuir.vu.edu.au/id/eprint/8134
Official URL http://www.benthamdirect.org/pages/content.php?PPL...
Subjects Historical > Faculty/School/Research Centre/Department > School of Biomedical and Health Sciences
Historical > FOR Classification > 1101 Medical Biochemistry and Metabolomics
Keywords ResPubID22188, PfDXR, antimalarial, apicomplexan, inhibitors, fosmidomycin, binding affinity, IC50
Citations in Scopus 12 - View on Scopus
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