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Molecular lipophilicity potential by CLIP, a reliable tool for the description of the 3D distribution of lipophilicity: application to 3-phenyloxazolidin-2-one, a prototype series of reversible MAOA inhibitors.
Ooms, Frédéric; Wouters, J; Collin, S et al.
1998In Bioorganic and Medicinal Chemistry Letters, 8 (11), p. 1425 - 1430
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Keywords :
Lipids; Monoamine Oxidase Inhibitors; Oxazoles; Chromatography, High Pressure Liquid; Crystallography, X-Ray; Lipids/chemistry; Models, Chemical; Monoamine Oxidase Inhibitors/chemical synthesis; Monoamine Oxidase Inhibitors/chemistry; Oxazoles/chemical synthesis; Oxazoles/pharmacology; Regression Analysis; Structure-Activity Relationship; Surface Properties; Biochemistry; Molecular Medicine; Molecular Biology; Pharmaceutical Science; Drug Discovery; Clinical Biochemistry; Organic Chemistry
Abstract :
[en] The capacity factor of eleven derivatives belonging to a prototype series of 3-phenyloxazolidin-2-one, reversible MAO inhibitors, was measured and compared to the calculated log Pcalc using the CLIP package. We demonstrate that this Molecular Lipophilicity Potential (MLP) approach is a valuable tool to estimate log Pcalc of such compounds.
Disciplines :
Chemistry
Author, co-author :
Ooms, Frédéric  ;  Université de Liège - ULiège > HEC Liège Research > HEC Liège Research: Strategy & Performance for the Society ; Laboratoire de Chimie Moléculaire Structurale, Facultés Universitaires Notre-Dame de la Paix, Namur, Belgium. ooms@scf.fundp.ac.be
Wouters, J;  Lab. de Chim. Molec. Structurale, Facultes Univ. Notre-Dame de la P., B-5000 Namur, Belgium
Collin, S;  Lab. de Chim. Molec. Structurale, Facultes Univ. Notre-Dame de la P., B-5000 Namur, Belgium ; Lab. de Brasserie et des Indust. A., Univ. Catholique de Louvain, B-1348, Louvain-la-Neuve, Belgium
Durant, F;  Lab. de Chim. Molec. Structurale, Facultes Univ. Notre-Dame de la P., B-5000 Namur, Belgium
Jegham, S;  Synthélabo Recherche, 92500, Rueil-Malmaison, France
George, P;  Synthélabo Recherche, 92500, Rueil-Malmaison, France
Language :
English
Title :
Molecular lipophilicity potential by CLIP, a reliable tool for the description of the 3D distribution of lipophilicity: application to 3-phenyloxazolidin-2-one, a prototype series of reversible MAOA inhibitors.
Publication date :
02 June 1998
Journal title :
Bioorganic and Medicinal Chemistry Letters
ISSN :
0960-894X
eISSN :
1464-3405
Publisher :
Elsevier BV, England
Volume :
8
Issue :
11
Pages :
1425 - 1430
Peer reviewed :
Peer Reviewed verified by ORBi
Available on ORBi :
since 02 July 2024

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