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Reduction of a platinum(IV) prodrug model by sulfur containing biological reductants: computational mechanistic elucidation
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Chipman, A, Yates, BF
ORCID: 0000-0001-9663-3301, Canty, AJ and Ariafard, A
ORCID: 0000-0003-2383-6380 2018
, 'Reduction of a platinum(IV) prodrug model by sulfur containing biological reductants: computational mechanistic elucidation'
, Chemical Communications, vol. 54
, pp. 10491-10494
, doi: 10.1039/c8cc05682j.


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Abstract
A PtIV prodrug needs to be reduced to PtII by a biomolecule in order to show efficacy. Among biomolecules, those containing an ʟ-Cys residue have the highest potential to be involved in reduction. Tautornerisation from HSCH2CH(NH3+)CO2¯ to the unusual zwitterion form ¯SCH2CH(NH3+)CO2H is the prerequisite for ʟ-Cys to become a potent reductant at a low pH.
Item Type: | Article |
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Authors/Creators: | Chipman, A and Yates, BF and Canty, AJ and Ariafard, A |
Keywords: | platinum drugs, anticancer, DFT, amino acids,cysteine, methionine |
Journal or Publication Title: | Chemical Communications |
Publisher: | Royal Soc Chemistry |
ISSN: | 1359-7345 |
DOI / ID Number: | 10.1039/c8cc05682j |
Copyright Information: | Copyright 2018 The Royal Society of Chemistry |
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Item Statistics: | View statistics for this item |
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