Literature DB >> 13678190

Prediction of the potency of inhibitors of adenosine deaminase by QM/MM calculations.

M Paul Gleeson1, Neil A Burton, Ian H Hillier.   

Abstract

QM/MM calculations show that the potency of a range of inhibitors of adenosine deaminase correlates with the relative stability of the reaction intermediate at the active site, rather than with the inhibitor binding energy.

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Year:  2003        PMID: 13678190     DOI: 10.1039/b305790a

Source DB:  PubMed          Journal:  Chem Commun (Camb)        ISSN: 1359-7345            Impact factor:   6.222


  2 in total

1.  Pa0148 from Pseudomonas aeruginosa catalyzes the deamination of adenine.

Authors:  Alissa M Goble; Zhening Zhang; J Michael Sauder; Stephen K Burley; Subramanyam Swaminathan; Frank M Raushel
Journal:  Biochemistry       Date:  2011-07-06       Impact factor: 3.162

2.  Deamination of 6-aminodeoxyfutalosine in menaquinone biosynthesis by distantly related enzymes.

Authors:  Alissa M Goble; Rafael Toro; Xu Li; Argentina Ornelas; Hao Fan; Subramaniam Eswaramoorthy; Yury Patskovsky; Brandan Hillerich; Ron Seidel; Andrej Sali; Brian K Shoichet; Steven C Almo; Subramanyam Swaminathan; Martin E Tanner; Frank M Raushel
Journal:  Biochemistry       Date:  2013-09-04       Impact factor: 3.162

  2 in total

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