-
1
-
-
0031024171
-
Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings
-
C. A. Lipinski, F. Lombardo, B. W. Dominy, and P. J. Feeney. Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings. Adv. Drug Del. Rev. 23:3-25 (1997).
-
(1997)
Adv. Drug Del. Rev.
, vol.23
, pp. 3-25
-
-
Lipinski, C.A.1
Lombardo, F.2
Dominy, B.W.3
Feeney, P.J.4
-
2
-
-
0029865447
-
Prodrugs revisited: The "ad hoc" approach as a complement to ligand design
-
B. Testa and J. Caldwell. Prodrugs revisited: The "Ad Hoc" approach as a complement to ligand design. Med. Res. Rev. 16:233-241 (1996).
-
(1996)
Med. Res. Rev.
, vol.16
, pp. 233-241
-
-
Testa, B.1
Caldwell, J.2
-
3
-
-
0031034715
-
Immobilized liposome chromatography of drugs for model analysis of drug-membrane interactions
-
P. Lundahl and F. Beigi. Immobilized liposome chromatography of drugs for model analysis of drug-membrane interactions. Adv. Drug Del. Rev. 23:221-227 (1997).
-
(1997)
Adv. Drug Del. Rev.
, vol.23
, pp. 221-227
-
-
Lundahl, P.1
Beigi, F.2
-
4
-
-
0031024064
-
Immobilized artificial membranes-screens for drug membrane interactions
-
C. Y. Yang, S. J. Cai, H. Liu, and C. Pidgeon. Immobilized artificial membranes-screens for drug membrane interactions. Adv. Drug Del. Rev. 23:229-256 (1997).
-
(1997)
Adv. Drug Del. Rev.
, vol.23
, pp. 229-256
-
-
Yang, C.Y.1
Cai, S.J.2
Liu, H.3
Pidgeon, C.4
-
5
-
-
0031413702
-
Intestinal drug absorption and metabolism in cell cultures: Caco-2 and beyond
-
P. Artursson and R. T. Borchardt. Intestinal drug absorption and metabolism in cell cultures: Caco-2 and beyond. Pharm. Res. 14:1655-1658 (1997).
-
(1997)
Pharm. Res.
, vol.14
, pp. 1655-1658
-
-
Artursson, P.1
Borchardt, R.T.2
-
6
-
-
0032568397
-
Physicochemical high throughput screening: Parallel artificial membrane permeation assay in the description of passive absorption processes
-
M. Kansy, F. Senner, and K. Gubernator. Physicochemical high throughput screening: parallel artificial membrane permeation assay in the description of passive absorption processes. J. Med. Chem. 41:1007-1010 (1998).
-
(1998)
J. Med. Chem.
, vol.41
, pp. 1007-1010
-
-
Kansy, M.1
Senner, F.2
Gubernator, K.3
-
7
-
-
0032961346
-
Automated absorption assessment using Caco-2 cells cultured on both sides of polycarbonate membranes
-
P. Garberg, P. Eriksson, N. Schipper, and B. Sjöström. Automated absorption assessment using Caco-2 cells cultured on both sides of polycarbonate membranes. Pharm. Res. 16:441-445 (1999).
-
(1999)
Pharm. Res.
, vol.16
, pp. 441-445
-
-
Garberg, P.1
Eriksson, P.2
Schipper, N.3
Sjöström, B.4
-
8
-
-
0342567894
-
Automation, reliability and limitations of Caco-2 intestinal permeability screening for selection of well-absorbed drug candidates, Early ADME and toxicology in drug discovery
-
Berkeley, CA, USA
-
R. A. Morrison. Automation, reliability and limitations of Caco-2 intestinal permeability screening for selection of well-absorbed drug candidates, Early ADME and toxicology in drug discovery. IBC Conferences USA, Berkeley, CA, USA (1998).
-
(1998)
IBC Conferences USA
-
-
Morrison, R.A.1
-
9
-
-
0030588714
-
Caco-2 monolayers in experimental and theoretical predictions of drug transport
-
P. Artursson, K. Palm, and K. Luthman. Caco-2 monolayers in experimental and theoretical predictions of drug transport. Adv. Drug Del. Rev. 22:67-84 (1996).
-
(1996)
Adv. Drug Del. Rev.
, vol.22
, pp. 67-84
-
-
Artursson, P.1
Palm, K.2
Luthman, K.3
-
10
-
-
0019422355
-
A practioner's perspective of the role of quantitative structure-activity analysis in medicinal chemistry
-
Y. C. Martin. A practioner's perspective of the role of quantitative structure-activity analysis in medicinal chemistry. J. Med. Chem. 24:229-237 (1981).
-
(1981)
J. Med. Chem.
, vol.24
, pp. 229-237
-
-
Martin, Y.C.1
-
11
-
-
0026535563
-
The relationship between peptide structure and transport across epithelial cell monolayers
-
P. S. Burton, R. A. Conradi, A. R. Hilgers, N. N. F. Ho, and L. L. Maggiora. The relationship between peptide structure and transport across epithelial cell monolayers. J. Contr. Rel. 19:87-98 (1992).
-
(1992)
J. Contr. Rel.
, vol.19
, pp. 87-98
-
-
Burton, P.S.1
Conradi, R.A.2
Hilgers, A.R.3
Ho, N.N.F.4
Maggiora, L.L.5
-
12
-
-
0030030608
-
Correlation of drug absorption with molecular surface properties
-
K. Palm, K. Luthman, A.-L. Ungell, O. Strandlund, and P. Artursson. Correlation of drug absorption with molecular surface properties. J. Pharm. Sci. 85:32-39 (1996).
-
(1996)
J. Pharm. Sci.
, vol.85
, pp. 32-39
-
-
Palm, K.1
Luthman, K.2
Ungell, A.-L.3
Strandlund, O.4
Artursson, P.5
-
13
-
-
0032585545
-
Evaluation of dynamic polar molecular surface area as predictor of drug absorption: Comparison with other computational and experimental predictors
-
K. Palm, K. Luthman, A.-L. Ungell, G. Strandlund, F. Beigi, P. Lundahl, and P. Artursson. Evaluation of dynamic polar molecular surface area as predictor of drug absorption: comparison with other computational and experimental predictors. J. Med. Chem. 41:5382-5392 (1998).
-
(1998)
J. Med. Chem.
, vol.41
, pp. 5382-5392
-
-
Palm, K.1
Luthman, K.2
Ungell, A.-L.3
Strandlund, G.4
Beigi, F.5
Lundahl, P.6
Artursson, P.7
-
14
-
-
0030914681
-
Polar molecular surface properties predict the intestinal absorption of drugs in humans
-
K. Palm, P. Stenberg, K. Luthman, and P. Artursson. Polar molecular surface properties predict the intestinal absorption of drugs in humans. Pharm. Res. 14:568-571 (1997).
-
(1997)
Pharm. Res.
, vol.14
, pp. 568-571
-
-
Palm, K.1
Stenberg, P.2
Luthman, K.3
Artursson, P.4
-
15
-
-
0033014577
-
Prediction of membrane permeability to peptides from calculated dynamic molecular surface properties
-
P. Stenberg, K. Luthman, and P. Artursson. Prediction of membrane permeability to peptides from calculated dynamic molecular surface properties. Pharm. Res. 16:205-212 (1999).
-
(1999)
Pharm. Res.
, vol.16
, pp. 205-212
-
-
Stenberg, P.1
Luthman, K.2
Artursson, P.3
-
16
-
-
0001032452
-
Relationships between physicochemical properties for a series of peptides and membrane permeability in Caco-2 cells
-
J. T. Goodwin, P. S. Burton, A. R. Hilgers, R. A. Conradi, and N. N. F. Ho. Relationships between physicochemical properties for a series of peptides and membrane permeability in Caco-2 cells. Pharm. Res. 13:S243 (1996).
-
(1996)
Pharm. Res.
, vol.13
-
-
Goodwin, J.T.1
Burton, P.S.2
Hilgers, A.R.3
Conradi, R.A.4
Ho, N.N.F.5
-
17
-
-
0031404654
-
Theoretical calulation and prediction of Caco-2 cell permeability using MolSurf parametrization and PLS statistics
-
U. Norinder, T. Österberg, and P. Artursson. Theoretical calulation and prediction of Caco-2 cell permeability using MolSurf parametrization and PLS statistics. Pharm. Res. 14:1785-1790 (1997).
-
(1997)
Pharm. Res.
, vol.14
, pp. 1785-1790
-
-
Norinder, U.1
Österberg, T.2
Artursson, P.3
-
19
-
-
0032480901
-
Correlation of human jejunal permeability (in vivo) of drugs with experimentally and theoretically derived parameters. A multivariate data analysis approach
-
S. Winiwarter, N. M. Bonham, F. Ax, A. Hallberg, H. Lennernäs, and A. Karlen. Correlation of human jejunal permeability (in vivo) of drugs with experimentally and theoretically derived parameters. A multivariate data analysis approach. J. Med. Chem. 41:4939-4949 (1998).
-
(1998)
J. Med. Chem.
, vol.41
, pp. 4939-4949
-
-
Winiwarter, S.1
Bonham, N.M.2
Ax, F.3
Hallberg, A.4
Lennernäs, H.5
Karlen, A.6
-
20
-
-
0030077787
-
Nonpeptide endothelin receptor antagonists. VI: Pharmacological characterization of SB 217242, a potent and highly bioavailable endothelin receptor antagonist
-
E. H. Ohlstein, P. Nambi, A. Lago, D. W. Hay, G. Beck, K. L. Fong, E. P. Eddy, P. Smith, H. Ellens, and J. D. Elliott. Nonpeptide endothelin receptor antagonists. VI: Pharmacological characterization of SB 217242, a potent and highly bioavailable endothelin receptor antagonist. J. Pharmacol. Exp. Ther. 276:609-615 (1996).
-
(1996)
J. Pharmacol. Exp. Ther.
, vol.276
, pp. 609-615
-
-
Ohlstein, E.H.1
Nambi, P.2
Lago, A.3
Hay, D.W.4
Beck, G.5
Fong, K.L.6
Eddy, E.P.7
Smith, P.8
Ellens, H.9
Elliott, J.D.10
-
21
-
-
17444435815
-
In vitro permeability screening for identification of orally bioavailable endothelin receptor antagonists
-
H. Ellens, E. P. Eddy, C.-P. Lee, P. Dougherty, A. Largo, J.-N. Xiang, J. D. Elliott, H.-Y. Cheng, E. Ohlstein, and P. L. Smith. In vitro permeability screening for identification of orally bioavailable endothelin receptor antagonists. Adv. Drug Del. Rev. 23:99-109 (1997).
-
(1997)
Adv. Drug Del. Rev.
, vol.23
, pp. 99-109
-
-
Ellens, H.1
Eddy, E.P.2
Lee, C.-P.3
Dougherty, P.4
Largo, A.5
Xiang, J.-N.6
Elliott, J.D.7
Cheng, H.-Y.8
Ohlstein, E.9
Smith, P.L.10
-
22
-
-
0043162336
-
An internal coordinate Monte Carlo method for searching conformational space
-
G. Chang, W. C Guida, and W. C. Still. An internal coordinate Monte Carlo method for searching conformational space. J. Am. Chem. Soc. 111:4379-4386 (1989).
-
(1989)
J. Am. Chem. Soc.
, vol.111
, pp. 4379-4386
-
-
Chang, G.1
Guida, W.C.2
Still, W.C.3
-
23
-
-
84986437005
-
MacroModel - An integrated software system for modeling organic and bioorganic molecules using molecular mechanics
-
F. Mohamadi, N. G. J. Richards, W. C. Guida, R. Liskamp, M. Lipton, C. Caufield, G. Chang, T. Hendrickson, and W. C. Still. MacroModel - An integrated software system for modeling organic and bioorganic molecules using molecular mechanics. J. Comp. Chem. 11:440-467 (1990).
-
(1990)
J. Comp. Chem.
, vol.11
, pp. 440-467
-
-
Mohamadi, F.1
Richards, N.G.J.2
Guida, W.C.3
Liskamp, R.4
Lipton, M.5
Caufield, C.6
Chang, G.7
Hendrickson, T.8
Still, W.C.9
-
24
-
-
0009550707
-
-
The program MAREA is available upon request from the authors. The program is provided free of charge for academic users. Contact Johan Gråsjö (email: johan.grasjo@galenik.uu.se).
-
MAREA v 1.4, The program MAREA is available upon request from the authors. The program is provided free of charge for academic users. Contact Johan Gråsjö (email: johan.grasjo@galenik.uu.se).
-
MAREA V 1.4
-
-
-
27
-
-
85031069792
-
-
Wavefunction Inc., 18401 Von Karman Avenue, Suite 370, Irvine, CA 92612 USA
-
Spartan v5.0, Wavefunction Inc., 18401 Von Karman Avenue, Suite 370, Irvine, CA 92612 USA.
-
Spartan V5.0
-
-
-
28
-
-
0009544640
-
-
Qemist AB, Hertig Carls allé 29, SE-691 41 Karlskoga, Sweden
-
MolSurf v3.11, Qemist AB, Hertig Carls allé 29, SE-691 41 Karlskoga, Sweden. http://members.xoom.com/Qemist.
-
MolSurf V3.11
-
-
-
30
-
-
85162676194
-
PLS regression methods
-
A. Höskuldsson. PLS regression methods. J. Chemometrics 2:211-228 (1988).
-
(1988)
J. Chemometrics
, vol.2
, pp. 211-228
-
-
Höskuldsson, A.1
-
31
-
-
0009542975
-
-
Umetri AB, Box 7960, SE-907 19, Umeå, Sweden
-
Simca-S v6.01, Umetri AB, Box 7960, SE-907 19, Umeå, Sweden.
-
Simca-S V6.01
-
-
-
32
-
-
0031946994
-
Membrane transport of drugs in different regions of the intestinal tract of the rat
-
A. L. Ungell, S. Nylander, S. Bergstrand, A. Sjöberg, and H. Lennernäs. Membrane transport of drugs in different regions of the intestinal tract of the rat. J. Pharm. Sci. 87:360-366 (1998).
-
(1998)
J. Pharm. Sci.
, vol.87
, pp. 360-366
-
-
Ungell, A.L.1
Nylander, S.2
Bergstrand, S.3
Sjöberg, A.4
Lennernäs, H.5
-
33
-
-
0031827249
-
Theoretical calculation and prediction of brain-blood partitioning of organic solutes using MolSurf parametrization and PLS statistics
-
U. Norinder, P. Sjöberg, and T. Österberg. Theoretical calculation and prediction of brain-blood partitioning of organic solutes using MolSurf parametrization and PLS statistics. J. Pharm. Sci. 87:952-959 (1998).
-
(1998)
J. Pharm. Sci.
, vol.87
, pp. 952-959
-
-
Norinder, U.1
Sjöberg, P.2
Österberg, T.3
|