Acylglucuronide in alkaline conditions: Migration vs. hydrolysis

Journal of Molecular Modeling

Volumn 19, Issue 6, 2013, Pages 2423-2432

  Di Meo, Florent ^a   Steel, Michele ^a   Nicolas, Picard ^a,b,c   Marquet, Pierre ^a,b,c   Duroux, Jean Luc ^a   Trouillas, Patrick ^a,d,e  

^a UNIVERSITY OF LIMOGES   (France)

^b INSERM   (France)

^c LIMOGES UNIVERSITY HOSPITAL   (France)

^d UNIVERSITY OF MONS   (Belgium)

^e PALACKÝ UNIVERSITY   (Czech Republic)

Author keywords

Acylglucuronides; Alkaline hydrolysis; DFT; Kinetics; Migration; Thermodynamics

Indexed keywords

ACYLGLUCURONIDE DERIVATIVE; DICLOFENAC; GLUCURONIDE; IBUPROFEN; MYCOPHENOLIC ACID; PHENYLACETIC ACID; PROTON; UNCLASSIFIED DRUG;

ARTICLE; CONFORMATION; DENSITY FUNCTIONAL THEORY; GLUCURONIDATION; HYDROLYSIS; ISOMERIZATION; PRIORITY JOURNAL; THERMODYNAMICS;

EID: 84878765812     PISSN: 16102940     EISSN: 09485023     Source Type: Journal    
DOI: 10.1007/s00894-013-1790-3     Document Type: Article

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