Computer-assisted design for atenolol prodrugs for the use in aqueous formulations

Journal of Molecular Modeling

Volumn 18, Issue 4, 2012, Pages 1523-1540

  Karaman, Rafik ^a   Dajani, Khuloud ^a   Hallak, Hussein ^a  

^a AL QUDS UNIVERSITY   (Palestine)

Author keywords

Amide hydrolysis; Anti hypertensive agents; Atenolol prodrugs; DFT calculations; Enzyme catalysis; Intramolecular acid catalyzed hydrolysis; Maleamic acid amide derivatives; Strain effects

Indexed keywords

ATENOLOL; ATENOLOL PRODRUG; CARBOXYL GROUP; CARBOXYLIC ACID; CHEMICAL COMPOUND; HYDROXYL GROUP; MALEAMIC (4 AMINO 4 OXO 2BUTENOIC) ACID DERIVATIVE; PRODRUG; UNCLASSIFIED DRUG;

AQUEOUS SOLUTION; ARTICLE; COMPUTER AIDED DESIGN; DENSITY FUNCTIONAL THEORY; DRUG DESIGN; HYDROLYSIS; LIPOPHILICITY; MOLECULAR MODEL; PRIORITY JOURNAL; PROTON TRANSPORT;

ANTIHYPERTENSIVE AGENTS; ATENOLOL; CHEMISTRY, PHARMACEUTICAL; COMPUTER-AIDED DESIGN; DRUG DESIGN; HYDROLYSIS; MALEATES; MODELS, MOLECULAR; PRODRUGS;

EID: 84861235345     PISSN: 16102940     EISSN: 09485023     Source Type: Journal    
DOI: 10.1007/s00894-011-1180-7     Document Type: Article

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