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rdf:type |
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lifeskim:mentions |
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pubmed:issue |
3
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pubmed:dateCreated |
2011-2-1
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pubmed:abstractText |
The diethyl esters and disodium salts of a range of heteroarylcarbamoylphosphonic acids have been prepared and evaluated as analogues of the highly active DOXP-reductoisomerase (DXR) inhibitor, fosmidomycin. Computer-simulated docking studies, Saturation Transfer Difference (STD) NMR analysis and enzyme inhibition assays have been used to explore enzyme-binding and -inhibition potential, while in silico analysis of the DXR active site has highlighted the importance of including a well-parameterised metal co-factor in docking studies and has revealed the availability of an additional binding pocket to guide future drug design.
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pubmed:language |
eng
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pubmed:journal |
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pubmed:citationSubset |
IM
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pubmed:chemical |
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pubmed:status |
MEDLINE
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pubmed:month |
Feb
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pubmed:issn |
1464-3391
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pubmed:author |
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pubmed:copyrightInfo |
Copyright © 2010 Elsevier Ltd. All rights reserved.
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pubmed:issnType |
Electronic
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pubmed:day |
1
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pubmed:volume |
19
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pubmed:owner |
NLM
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pubmed:authorsComplete |
Y
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pubmed:pagination |
1321-7
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pubmed:dateRevised |
2011-11-17
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pubmed:meshHeading |
pubmed-meshheading:21216609-Aldose-Ketose Isomerases,
pubmed-meshheading:21216609-Antimalarials,
pubmed-meshheading:21216609-Computer Simulation,
pubmed-meshheading:21216609-Drug Design,
pubmed-meshheading:21216609-Fosfomycin,
pubmed-meshheading:21216609-Furans,
pubmed-meshheading:21216609-Molecular Structure,
pubmed-meshheading:21216609-Multienzyme Complexes,
pubmed-meshheading:21216609-Oxidoreductases,
pubmed-meshheading:21216609-Phosphonic Acids,
pubmed-meshheading:21216609-Protein Binding
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pubmed:year |
2011
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pubmed:articleTitle |
Synthesis and evaluation of phosphonated N-heteroarylcarboxamides as DOXP-reductoisomerase (DXR) inhibitors.
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pubmed:affiliation |
Centre for Chemico- and Biomedicinal Research, Rhodes University, Grahamstown 6140, South Africa.
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pubmed:publicationType |
Journal Article,
Research Support, Non-U.S. Gov't
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