Successful in silico predicting of intestinal lymphatic transfer

International Journal of Pharmaceutics

Volumn 272, Issue 1-2, 2004, Pages 189-193

  Holm, René ^a   Hoest, Jan ^b  

^a H LUNDBECK A S   (Denmark)

^b UNIVERSITY OF COPENHAGEN   (Denmark)

Author keywords

In silico prediction; Lipid; Lymph; PLS; Triglyceride; VolSurf

Indexed keywords

2,2 DIMETHYL N (2,4,6 TRIMETHOXYPHENYL)DODECANAMIDE; 4,7BETA DIMETHYL 4 AZACHOLESTAN 3 ONE; CHLORPHENOTANE; CYCLOSPORIN; DRUG VEHICLE; EPITIOSTANOL; ETRETINATE; HALOFANTRINE; ISOTRETINOIN; LIPID; MEPITIOSTANE; ONTAZOLAST; PROGESTERONE; TEMAROTENE; TESTOSTERONE; TRIACYLGLYCEROL; UNCLASSIFIED DRUG;

ARTICLE; CHEMICAL STRUCTURE; COMPUTER MODEL; COMPUTER PROGRAM; DRUG ABSORPTION; HYDROPHILICITY; LIPID SOLUBILITY; LIPOPHILICITY; LYMPHATIC SYSTEM; NONHUMAN; PREDICTION; PRIORITY JOURNAL; QUANTITATIVE STRUCTURE PROPERTY RELATION;

INTESTINAL ABSORPTION; LYMPHOID TISSUE; MODELS, BIOLOGICAL; MOLECULAR STRUCTURE; PHARMACEUTICAL PREPARATIONS; PHARMACOKINETICS;

EID: 1442324408     PISSN: 03785173     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.ijpharm.2003.12.017     Document Type: Article

References (23)

1. Andrews C.W., Bennett L., Yu L.X. Predicting human oral bioavailability of a novel compound: development of a novel quantitative structure- bioavailability relationship. Pharm. Res. 17:2000;639-644.
2. Caliph S.M., Charman W.N., Porter C.J.H. Effect of short-, medium-, and long-chain fatty acid-based vehicles on the absolute oral bioavailability and intestinal lymphatic transport of halofantrine and assessment of mass balance in lymph-cannulated and non-cannulated rats. J. Pharm. Sci. 89:2000;1073-1084.
3. Charman W.N., Stella V.J. Estimating the maximal potential for intestinal lymphatic transport of lipophilic drug molecules. Int. J. Pharm. 34:1986;175-178.
4. Cruciani G., Crivori P., Carrupt P.A., Testa B. Molecular fields in quantitative structure-permeation relationships: the VolSurf approach. J. Mol. Struct. Theochem. 503:2000;17-30.
5. Cruciani G., Pastor M., Guba W. VolSurf: a new tool for the pharmacokonetic optimization of lead compounds. Eur. J. Pharm. Sci. 11:2000;S29-S39.
6. Hauss D.J., Fogal S.E., Ficorilli J.V., Price C.A., Roy T., Jayaraj A.A., Keirns J.J. Lipid based delivery systems for improving the bioavailability and lymphatic transport of a poorly water soluble LTB4 inhibitor. J. Pharm. Sci. 87:1998;164-169.
7. Hauss D.J., Mehta S.C., Radebaugh G.W. Targeted lymphatic transport and modified systemic distribution of CI-976, a lipophilic lipid-regulator drug, via a formulation approach. Int. J. Pharm. 108:1994;85-93.
8. Humberstone A.J., Charman W.N. Lipid-based vehicles for the oral delivery of poorly water soluble drugs. Adv. Drug Del. Rev. 25:1997;103-128.
9. Ichihashi T., Nagasaki T., Takagishi Y., Yamada H. A quantitative concept of the mechanism of intestinal lymphatic transfer of lipophilic molecules. Pharm. Res. 11:1994;508-512.
10. Ichihashi T., Kinoshita H., Takagishi Y., Yamada H. Intrinsic lymphatic partition rate of mepitiostane, epitiostanol, and oleic acid absorbed from rat intestine. Pharm. Res. 8:1991;1302-1306.
11. Krarup L.H., Christensen I.T., Hovgaard L., Frokjaer S. Predicting drug absorption from molecular surface properties based on molecular dynamics simulations. Pharm. Res. 15:1998;972-978.
12. Kwei G.Y., Novak L.B., Hettrick L.H., Reiss E.R., Fong E.K., Olah T.V., Loper A.E. Lymphatic uptake of MK-386, a sterol 5a-reductase inhibitor, from aqueous and lipid formulations. Int. J. Pharm. 164:1998;37-44.
13. Lipinski C.A., Lombardo F., Dominy B.W., Feeney P.J. Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings. Adv. Drug Del. Rev. 23:1997;3-25.
14. Meyland W.M., Howard P.H. Atom/fragment contribution method for estimating octanol-water coefficients. J. Pharm. Sci. 84:1995;83-92.
15. Meyers R.A., Stella V.J. Factors affecting the lymphatic transport of penclomedine (NCS-338720), a lipophilic cytotoxic drug: comparison to DDT and hexachlorobenzene. Int. J. Pharm. 80:1992;51-62.
16. Nankervis R., Davis S.S., Day N.H., Shaw P.N. Intestinal lymphatic transport of three retinoids in the rat after oral administration: effect of lipophilicity and lipid vehicle. Int. J. Pharm. 130:1996;57-64.
17. Norinder U., Österberg T., Artursson P. Theoretical calculation and prediction of intestinal absorption of drugs in humans using MolSurf parametrization and PLS statistics. Eur. J. Pharm. Sci. 8:1999;49-56.
18. O'Driscoll C.M. Lipid-based formulations for intestinal lymphatic delivery. Eur. J. Pharm. Sci. 15:2002;405-415.
19. O'Driscoll C.M., Myers R.A., Stella V.J. Blood and lymph transport of DDT after oral and parenteral administration to anesthetized rats. Int. J. Pharm. 73:1991;177-183.
20. Palm K., Luthman K., Ungell A.L., Strandlund G., Artursson P. Correlation of drug absorption with molecular surface properties. J. Pharm. Sci. 85:1996;32-39.
21. Sieber S.M. The lymphatic absorption of p,p-DDT and some structurally-related compounds in the rat. Pharmacology. 14:1976;443-454.
22. Ueda C.T., Lemaire M., Gsell G., Nussbaumer K. Intestinal lymphatic absorption of cyclosporin A following oral administration in an olive oil solution in rats. Biopharm. Drug Dispos. 4:1983;113-124.
23. Wold, S., Johansson, E., Cocchi, M., 1993. PLS - partial least-squares projections to latent structures. In: Kubinyi, H. (Ed.), 3D QSAR in Drug Design. Escom, Leiden, pp. 523-550.