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.
[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.
scite shows how a scientific paper has been cited by providing the context of the citation, a classification describing whether it supports, mentions, or contrasts the cited claim, and a label indicating in which section the citation was made.
Bibliography
1. Leo, A. Chem. Reviews 1993, 93, 1281-1306
2. Rekker, R.F.; Mannhold, R. Calculation of Drug Lipophilicity ; VCH : Weinheim, 1992
3. Hansch, C.; Leo, A.; Hoekman, D. Exploring QSAR Hydrophobic, Electronic, and Steric Constants ; American Chemical Society : Washington, DC, 1995
4. Broto, P.; Moreau, G.; Vandycke, C. Eur. J. Med. Chem. 1984, 19, 71-78
5. Leo, A.; Hansch, C. ; Elkins, D. Chem. Rev. 1971, 77, 766-771
7. Kim, K.H. J. Comput. Aided Mol. Des. 1995, 9, 308-318
8. Du, Q.; Arteca, G.A. J. Comput. Aided Mol. Des. 1996, 10, 133-144
9. Gaillard, P.; Carrupt, P.A.; Testa, B.; Boudon, A. J. Comput. Aided Mol. Des. 1994, 8, 83-96
10. Gaillard, P.; Carrupt, P.A.; Testa, B. Bioorg. Med. Chem. Lett. 1994, 4, 737-742
11. Carrupt, P. -A., Testa, B., Gaillard, P. In Rev. Computat. Chem.; Lipkowitz, K. B.; Boyd, B. D., Ed.; Wiley-VCH: New-York, 1997; Vol 11, pp. 241-315
12. Audry, E.; Dubost, J.-P.; Colletier, J.-C.; Dallet, P. Eur. J. Med. Chem. 1986, 21, 71-72
13. Fauchere, J.L.; Quarendon, P.; Kaetterer, L. J. Mol. Graphics 1988, 6, 203-206
This website uses cookies to improve user experience. Read more
Save & Close
Accept all
Decline all
Show detailsHide details
Cookie declaration
About cookies
Strictly necessary
Performance
Strictly necessary cookies allow core website functionality such as user login and account management. The website cannot be used properly without strictly necessary cookies.
This cookie is used by Cookie-Script.com service to remember visitor cookie consent preferences. It is necessary for Cookie-Script.com cookie banner to work properly.
Performance cookies are used to see how visitors use the website, eg. analytics cookies. Those cookies cannot be used to directly identify a certain visitor.
Used to store the attribution information, the referrer initially used to visit the website
Cookies are small text files that are placed on your computer by websites that you visit. Websites use cookies to help users navigate efficiently and perform certain functions. Cookies that are required for the website to operate properly are allowed to be set without your permission. All other cookies need to be approved before they can be set in the browser.
You can change your consent to cookie usage at any time on our Privacy Policy page.
