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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
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نویسنده
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goble j.l. ,adendorff m.r. ,de beer t.a.p. ,stephens l.l. ,blatch g.l.
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منبع
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protein and peptide letters - 2010 - دوره : 17 - شماره : 1 - صفحه:109 -120
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چکیده
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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. © 2010 bentham science publishers ltd.
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کلیدواژه
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Antimalarial; Apicomplexan; Binding affinity; Fosmidomycin; Ic50; Inhibitors; Pfdxr
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آدرس
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biomedical biotechnology research unit,department of biochemistry,microbiology and biotechnology,rhodes university, South Africa, marine natural products laboratory,department of chemistry,rhodes university,6140, South Africa, bioinformatics and computational biology unit,department biochemistry,university of pretoria, South Africa, biomedical biotechnology research unit,department of biochemistry,microbiology and biotechnology,rhodes university, South Africa, biomedical biotechnology research unit,department of biochemistry,microbiology and biotechnology,rhodes university, South Africa
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Authors
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