-
1
-
-
79956140184
-
Getting pharmaceutical R&D back on track
-
[1] Bunnage, M.E., Getting pharmaceutical R&D back on track. Nat. Chem. Biol. 7 (2011), 335–339.
-
(2011)
Nat. Chem. Biol.
, vol.7
, pp. 335-339
-
-
Bunnage, M.E.1
-
2
-
-
84857743319
-
Diagnosing the decline in pharmaceutical R&D efficiency
-
[2] Scannell, J.W., Blanckley, A., Boldon, H., Warrington, B., Diagnosing the decline in pharmaceutical R&D efficiency. Nat. Rev. Drug Discov. 11 (2012), 191–200.
-
(2012)
Nat. Rev. Drug Discov.
, vol.11
, pp. 191-200
-
-
Scannell, J.W.1
Blanckley, A.2
Boldon, H.3
Warrington, B.4
-
3
-
-
84962163302
-
How beyond rule of 5 drugs and clinical candidates bind to their targets
-
[3] Doak, B.C., Zheng, J., Dobritzsch, D., Kihlberg, J., How beyond rule of 5 drugs and clinical candidates bind to their targets. J. Med. Chem. 59 (2016), 2312–2327.
-
(2016)
J. Med. Chem.
, vol.59
, pp. 2312-2327
-
-
Doak, B.C.1
Zheng, J.2
Dobritzsch, D.3
Kihlberg, J.4
-
4
-
-
0031024171
-
Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings
-
[4] 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 Deliv. Rev. 23 (1997), 3–25.
-
(1997)
Adv. Drug Deliv. Rev.
, vol.23
, pp. 3-25
-
-
Lipinski, C.A.1
Lombardo, F.2
Dominy, B.W.3
Feeney, P.J.4
-
5
-
-
39749181550
-
Generation of a set of simple, interpretable ADMET rules of thumb
-
[5] Gleeson, M.P., Generation of a set of simple, interpretable ADMET rules of thumb. J. Med. Chem. 51 (2008), 817–834.
-
(2008)
J. Med. Chem.
, vol.51
, pp. 817-834
-
-
Gleeson, M.P.1
-
6
-
-
84862025745
-
Use of 3D properties to characterize beyond rule-of-5 property space for passive permeation
-
[6] Guimaraes, C.R.W., Mathiowetz, A.M., Shalaeva, M., Goetz, G., Liras, S., Use of 3D properties to characterize beyond rule-of-5 property space for passive permeation. J. Chem. Inf. Model. 52 (2012), 882–890.
-
(2012)
J. Chem. Inf. Model.
, vol.52
, pp. 882-890
-
-
Guimaraes, C.R.W.1
Mathiowetz, A.M.2
Shalaeva, M.3
Goetz, G.4
Liras, S.5
-
7
-
-
84860267055
-
Beyond size, ionization state, and lipophilicity: influence of molecular topology on absorption, distribution, metabolism, excretion, and toxicity for druglike compounds
-
[7] Yang, Y., Engkvist, O., Llinas, A., Chen, H., Beyond size, ionization state, and lipophilicity: influence of molecular topology on absorption, distribution, metabolism, excretion, and toxicity for druglike compounds. J. Med. Chem. 55 (2012), 3667–3677.
-
(2012)
J. Med. Chem.
, vol.55
, pp. 3667-3677
-
-
Yang, Y.1
Engkvist, O.2
Llinas, A.3
Chen, H.4
-
8
-
-
80052974259
-
Improving drug candidates by design: a focus on physicochemical properties as a means of improving compound disposition and safety
-
[8] Meanwell, N.A., Improving drug candidates by design: a focus on physicochemical properties as a means of improving compound disposition and safety. Chem. Res. Toxicol. 24 (2011), 1420–1456.
-
(2011)
Chem. Res. Toxicol.
, vol.24
, pp. 1420-1456
-
-
Meanwell, N.A.1
-
9
-
-
0030914681
-
Polar molecular surface properties predict the intestinal absorption of drugs in humans
-
[9] Palm, K., Stenberg, P., Luthman, K., Artursson, P., Polar molecular surface properties predict the intestinal absorption of drugs in humans. Pharm. Res. 14 (1997), 568–571.
-
(1997)
Pharm. Res.
, vol.14
, pp. 568-571
-
-
Palm, K.1
Stenberg, P.2
Luthman, K.3
Artursson, P.4
-
10
-
-
0037030653
-
Molecular properties that influence the oral bioavailability of drug candidates
-
[10] Veber, D.F., Johnson, S.R., Cheng, H.Y., Smith, B.R., Ward, K.W., Kopple, K.D., Molecular properties that influence the oral bioavailability of drug candidates. J. Med. Chem. 45 (2002), 2615–2623.
-
(2002)
J. Med. Chem.
, vol.45
, pp. 2615-2623
-
-
Veber, D.F.1
Johnson, S.R.2
Cheng, H.Y.3
Smith, B.R.4
Ward, K.W.5
Kopple, K.D.6
-
11
-
-
0030588714
-
Caco-2 monolayers in experimental and theoretical predictions of drug transport
-
[11] Artursson, P., Palm, K., Luthman, K., Caco-2 monolayers in experimental and theoretical predictions of drug transport. Adv. Drug Deliv. Rev. 22 (1996), 67–84.
-
(1996)
Adv. Drug Deliv. Rev.
, vol.22
, pp. 67-84
-
-
Artursson, P.1
Palm, K.2
Luthman, K.3
-
12
-
-
0032949615
-
MDCK (Madin–Darby canine kidney) cells: a tool for membrane permeability screening
-
[12] Irvine, J.D., Takahashi, L., Lockhart, K., Cheong, J., Tolan, J.W., Selick, H.E., Grove, J.R., MDCK (Madin–Darby canine kidney) cells: a tool for membrane permeability screening. J. Pharm. Sci. 88 (1999), 28–33.
-
(1999)
J. Pharm. Sci.
, vol.88
, pp. 28-33
-
-
Irvine, J.D.1
Takahashi, L.2
Lockhart, K.3
Cheong, J.4
Tolan, J.W.5
Selick, H.E.6
Grove, J.R.7
-
13
-
-
80054853098
-
On-resin N-methylation of cyclic peptides for discovery of orally bioavailable scaffolds
-
[13] White, T.R., Renzelman, C.M., Rand, A.C., Rezai, T., McEwen, C.M., Gelev, V.M., Turner, R.A., Linington, R.G., Leung, S.S.F., Kalgutkar, A.S., Bauman, J.N., Zhang, Y., Liras, S., Price, D.A., Mathiowetz, A.M., Jacobsen, M.P., Lokey, R.S., On-resin N-methylation of cyclic peptides for discovery of orally bioavailable scaffolds. Nat. Chem. Biol. 7 (2011), 810–817.
-
(2011)
Nat. Chem. Biol.
, vol.7
, pp. 810-817
-
-
White, T.R.1
Renzelman, C.M.2
Rand, A.C.3
Rezai, T.4
McEwen, C.M.5
Gelev, V.M.6
Turner, R.A.7
Linington, R.G.8
Leung, S.S.F.9
Kalgutkar, A.S.10
Bauman, J.N.11
Zhang, Y.12
Liras, S.13
Price, D.A.14
Mathiowetz, A.M.15
Jacobsen, M.P.16
Lokey, R.S.17
-
14
-
-
0032568397
-
Physicochemical high throughput screening: Parallel artificial membrane permeation assay in the description of passive absorption processes
-
[14] Kansy, M., Senner, F., Gubernator, K., Physicochemical high throughput screening: Parallel artificial membrane permeation assay in the description of passive absorption processes. J. Med. Chem. 41 (1998), 1007–1010.
-
(1998)
J. Med. Chem.
, vol.41
, pp. 1007-1010
-
-
Kansy, M.1
Senner, F.2
Gubernator, K.3
-
15
-
-
84893307473
-
The role of ligand efficiency metrics in drug discovery
-
[15] Hopkins, A.L., Keseru, G.M., Leeson, P.D., Rees, D.C., Reynolds, C.H., The role of ligand efficiency metrics in drug discovery. Nat. Rev. Drug Discov. 13 (2014), 105–121.
-
(2014)
Nat. Rev. Drug Discov.
, vol.13
, pp. 105-121
-
-
Hopkins, A.L.1
Keseru, G.M.2
Leeson, P.D.3
Rees, D.C.4
Reynolds, C.H.5
-
16
-
-
36549024945
-
A sorcerer's apprentice and the rule of five: from rule-of-thumb to commandment and beyond
-
[16] Abad-Zapatero, C., A sorcerer's apprentice and the rule of five: from rule-of-thumb to commandment and beyond. Drug Discov. Today 12 (2007), 995–997.
-
(2007)
Drug Discov. Today
, vol.12
, pp. 995-997
-
-
Abad-Zapatero, C.1
-
17
-
-
80052831391
-
Drug discovery in the next decade: innovation needed ASAP
-
[17] Bennani, Y.L., Drug discovery in the next decade: innovation needed ASAP. Drug Discov. Today 16 (2011), 779–792.
-
(2011)
Drug Discov. Today
, vol.16
, pp. 779-792
-
-
Bennani, Y.L.1
-
18
-
-
84856405594
-
Going further than Lipinski's rule in drug design
-
[18] Walters, W.P., Going further than Lipinski's rule in drug design. Expert Opin. Drug Discovery 7 (2012), 99–107.
-
(2012)
Expert Opin. Drug Discovery
, vol.7
, pp. 99-107
-
-
Walters, W.P.1
-
19
-
-
37549071045
-
Drug discovery beyond the ‘rule-of-five’
-
[19] Zhang, M.Q., Wilkinson, B., Drug discovery beyond the ‘rule-of-five’. Curr. Opin. Biotechnol. 18 (2007), 478–488.
-
(2007)
Curr. Opin. Biotechnol.
, vol.18
, pp. 478-488
-
-
Zhang, M.Q.1
Wilkinson, B.2
-
20
-
-
84904389204
-
Ligand efficiency metrics considered harmful
-
[20] Kenny, P.W., Leitao, A., Montanari, C.A., Ligand efficiency metrics considered harmful. J. Comput. Aided Mol. Des. 28 (2014), 699–710.
-
(2014)
J. Comput. Aided Mol. Des.
, vol.28
, pp. 699-710
-
-
Kenny, P.W.1
Leitao, A.2
Montanari, C.A.3
-
21
-
-
84856201851
-
Quantifying the chemical beauty of drugs
-
[21] Bickerton, G.R., Paolini, G.V., Besnard, J., Muresan, S., Hopkins, A.L., Quantifying the chemical beauty of drugs. Nat. Chem. 4 (2012), 90–98.
-
(2012)
Nat. Chem.
, vol.4
, pp. 90-98
-
-
Bickerton, G.R.1
Paolini, G.V.2
Besnard, J.3
Muresan, S.4
Hopkins, A.L.5
-
22
-
-
0034687231
-
Prediction of drug absorption using multivariate statistics
-
[22] Egan, W.J., Merz, K.M. Jr., Baldwin, J.J., Prediction of drug absorption using multivariate statistics. J. Med. Chem. 43 (2000), 3867–3877.
-
(2000)
J. Med. Chem.
, vol.43
, pp. 3867-3877
-
-
Egan, W.J.1
Merz, K.M.2
Baldwin, J.J.3
-
23
-
-
69949109727
-
Using the golden triangle to optimize clearance and oral absorption
-
[23] Johnson, T.W., Dress, K.R., Edwards, M., Using the golden triangle to optimize clearance and oral absorption. Bioorg. Med. Chem. Lett. 19 (2009), 5560–5564.
-
(2009)
Bioorg. Med. Chem. Lett.
, vol.19
, pp. 5560-5564
-
-
Johnson, T.W.1
Dress, K.R.2
Edwards, M.3
-
24
-
-
78651365939
-
The graphical representation of ADME-related molecule properties for medicinal chemists
-
[24] Ritchie, T.J., Ertl, P., Lewis, R., The graphical representation of ADME-related molecule properties for medicinal chemists. Drug Discov. Today 16 (2011), 65–72.
-
(2011)
Drug Discov. Today
, vol.16
, pp. 65-72
-
-
Ritchie, T.J.1
Ertl, P.2
Lewis, R.3
-
25
-
-
77749315417
-
Lipophilicity in drug discovery
-
[25] Waring, M.J., Lipophilicity in drug discovery. Expert Opin. Drug Discovery 5 (2010), 235–248.
-
(2010)
Expert Opin. Drug Discovery
, vol.5
, pp. 235-248
-
-
Waring, M.J.1
-
26
-
-
35748934487
-
The influence of drug-like concepts on decision-making in medicinal chemistry
-
[26] Leeson, P.D., Springthorpe, B., The influence of drug-like concepts on decision-making in medicinal chemistry. Nat. Rev. Drug Discov. 6 (2007), 881–890.
-
(2007)
Nat. Rev. Drug Discov.
, vol.6
, pp. 881-890
-
-
Leeson, P.D.1
Springthorpe, B.2
-
27
-
-
84909586310
-
Oral druggable space beyond the rule of 5: insights from drugs and clinical candidates
-
[27] Doak, B.C., Over, B., Giordanetto, F., Kihlberg, J., Oral druggable space beyond the rule of 5: insights from drugs and clinical candidates. Chem. Biol. 21 (2014), 1115–1142.
-
(2014)
Chem. Biol.
, vol.21
, pp. 1115-1142
-
-
Doak, B.C.1
Over, B.2
Giordanetto, F.3
Kihlberg, J.4
-
28
-
-
79955613841
-
Molecular obesity, potency and other addictions in drug discovery
-
[28] Hann, M.M., Molecular obesity, potency and other addictions in drug discovery. Med. Chem. Commun. 2 (2011), 349–355.
-
(2011)
Med. Chem. Commun.
, vol.2
, pp. 349-355
-
-
Hann, M.M.1
-
29
-
-
33745126636
-
Dependence of molecular properties on proteomic family for marketed oral drugs
-
[29] Vieth, M., Sutherland, J.J., Dependence of molecular properties on proteomic family for marketed oral drugs. J. Med. Chem. 49 (2006), 3451–3453.
-
(2006)
J. Med. Chem.
, vol.49
, pp. 3451-3453
-
-
Vieth, M.1
Sutherland, J.J.2
-
30
-
-
33746156959
-
Global mapping of pharmacological space
-
[30] Paolini, G.V., Shapland, R.H.B., van Hoorn, W.P., Mason, J.S., Hopkins, A.L., Global mapping of pharmacological space. Nat. Biotechnol. 24 (2006), 805–815.
-
(2006)
Nat. Biotechnol.
, vol.24
, pp. 805-815
-
-
Paolini, G.V.1
Shapland, R.H.B.2
van Hoorn, W.P.3
Mason, J.S.4
Hopkins, A.L.5
-
31
-
-
33646715920
-
The influence of target family and functional activity on the physicochemical properties of pre-clinical compounds
-
[31] Morphy, R., The influence of target family and functional activity on the physicochemical properties of pre-clinical compounds. J. Med. Chem. 49 (2006), 2969–2978.
-
(2006)
J. Med. Chem.
, vol.49
, pp. 2969-2978
-
-
Morphy, R.1
-
33
-
-
84891751622
-
The druggable genome: evaluation of drug targets in clinical trials suggests major shifts in molecular class and indication
-
[33] Rask-Andersen, M., Masuram, S., Schioth, H.B., The druggable genome: evaluation of drug targets in clinical trials suggests major shifts in molecular class and indication. Annu. Rev. Pharmacol. Toxicol. 54 (2014), 9–26.
-
(2014)
Annu. Rev. Pharmacol. Toxicol.
, vol.54
, pp. 9-26
-
-
Rask-Andersen, M.1
Masuram, S.2
Schioth, H.B.3
-
34
-
-
84856389159
-
Structural biology and drug discovery of difficult targets: the limits of ligandability
-
[34] Surade, S., Blundell, T.L., Structural biology and drug discovery of difficult targets: the limits of ligandability. Chem. Biol. 19 (2012), 42–50.
-
(2012)
Chem. Biol.
, vol.19
, pp. 42-50
-
-
Surade, S.1
Blundell, T.L.2
-
35
-
-
84862000655
-
Development of a rule-based method for the assessment of protein druggability
-
[35] Perola, E., Herman, L., Weiss, J., Development of a rule-based method for the assessment of protein druggability. J. Chem. Inf. Model. 52 (2012), 1027–1038.
-
(2012)
J. Chem. Inf. Model.
, vol.52
, pp. 1027-1038
-
-
Perola, E.1
Herman, L.2
Weiss, J.3
-
36
-
-
84892163643
-
Macrocyclic drugs and clinical candidates: what can medicinal chemists learn from their properties?
-
[36] Giordanetto, F., Kihlberg, J., Macrocyclic drugs and clinical candidates: what can medicinal chemists learn from their properties?. J. Med. Chem. 57 (2014), 278–295.
-
(2014)
J. Med. Chem.
, vol.57
, pp. 278-295
-
-
Giordanetto, F.1
Kihlberg, J.2
-
37
-
-
84906307859
-
How proteins bind macrocycles
-
[37] Villar, E.A., Beglov, D., Chennamadhavuni, S., Porco, J.A., Kozakov, D., Vajda, S., Whitty, A., How proteins bind macrocycles. Nat. Chem. Biol. 10 (2014), 723–732.
-
(2014)
Nat. Chem. Biol.
, vol.10
, pp. 723-732
-
-
Villar, E.A.1
Beglov, D.2
Chennamadhavuni, S.3
Porco, J.A.4
Kozakov, D.5
Vajda, S.6
Whitty, A.7
-
38
-
-
84909587217
-
Small-molecule inhibitors of protein-protein interactions: progressing toward the reality
-
[38] Arkin, M.R., Tang, Y., Wells, J.A., Small-molecule inhibitors of protein-protein interactions: progressing toward the reality. Chem. Biol. 21 (2014), 1102–1114.
-
(2014)
Chem. Biol.
, vol.21
, pp. 1102-1114
-
-
Arkin, M.R.1
Tang, Y.2
Wells, J.A.3
-
39
-
-
0025804183
-
Correlation between oral drug absorption in humans and apparent drug permeability coefficients in human intestinal epithelial (Caco-2) cells
-
[39] Artursson, P., Karlsson, J., Correlation between oral drug absorption in humans and apparent drug permeability coefficients in human intestinal epithelial (Caco-2) cells. Biochem. Biophys. Res. Commun. 175 (1991), 880–885.
-
(1991)
Biochem. Biophys. Res. Commun.
, vol.175
, pp. 880-885
-
-
Artursson, P.1
Karlsson, J.2
-
40
-
-
85001221819
-
Understanding macrocycle cell permeability
-
(Submitted manuscript)
-
[40] Over, B., Matsson, P., Tyrchan, C., Artursson, P., Doak, B.C., Foley, M.A., Hilgendorf, C., Johnston, S., Lee, M.D., Lewis, R., McCarren, P., Muncipinto, G., Perry, U. Norinder, M.W.D., Duvall, J.R., Kihlberg, J., Understanding macrocycle cell permeability. 2015 (Submitted manuscript).
-
(2015)
-
-
Over, B.1
Matsson, P.2
Tyrchan, C.3
Artursson, P.4
Doak, B.C.5
Foley, M.A.6
Hilgendorf, C.7
Johnston, S.8
Lee, M.D.9
Lewis, R.10
McCarren, P.11
Muncipinto, G.12
Perry, U.N.M.W.D.13
Duvall, J.R.14
Kihlberg, J.15
-
41
-
-
0021797094
-
4-Deoxypyrido[1′,2′:1,2]imidazo[5,4-c]rifamycin SV derivatives. A new series of semisynthetic rifamycins with high antibacterial activity and low gastroenteric absorption
-
[41] Marchi, E., Montecchi, L., Venturini, A.P., Mascellan, G., Brufani, M., Cellai, L., 4-Deoxypyrido[1′,2′:1,2]imidazo[5,4-c]rifamycin SV derivatives. A new series of semisynthetic rifamycins with high antibacterial activity and low gastroenteric absorption. J. Med. Chem. 28 (1985), 960–963.
-
(1985)
J. Med. Chem.
, vol.28
, pp. 960-963
-
-
Marchi, E.1
Montecchi, L.2
Venturini, A.P.3
Mascellan, G.4
Brufani, M.5
Cellai, L.6
-
42
-
-
0021711014
-
X-ray crystal structure of 4-deoxy-3′-bromopyrido[1′,2′-1,2]imidazo[5,4-c]rifamycin SV
-
[42] Brufani, M., Cellai, L., Cerrini, S., Fedeli, W., Marchi, E., Segre, A., Vaciago, A., X-ray crystal structure of 4-deoxy-3′-bromopyrido[1′,2′-1,2]imidazo[5,4-c]rifamycin SV. J. Antibiot. 37 (1984), 1623–1627.
-
(1984)
J. Antibiot.
, vol.37
, pp. 1623-1627
-
-
Brufani, M.1
Cellai, L.2
Cerrini, S.3
Fedeli, W.4
Marchi, E.5
Segre, A.6
Vaciago, A.7
-
43
-
-
84867025688
-
Optimizing PK properties of cyclic peptides: the effect of side chain substitutions on permeability and clearance
-
[43] Rand, A.C., Leung, S.S.F., Eng, H., Rotter, C.J., Sharma, R., Kalgutkar, A.S., Zhang, Y., Varma, M.V., Farley, K.A., Khunte, B., Limberakis, C., Price, D.A., Liras, S., Mathiowetz, A.M., Jacobson, M.P., Lokey, R.S., Optimizing PK properties of cyclic peptides: the effect of side chain substitutions on permeability and clearance. Med. Chem. Commun. 3 (2012), 1282–1289.
-
(2012)
Med. Chem. Commun.
, vol.3
, pp. 1282-1289
-
-
Rand, A.C.1
Leung, S.S.F.2
Eng, H.3
Rotter, C.J.4
Sharma, R.5
Kalgutkar, A.S.6
Zhang, Y.7
Varma, M.V.8
Farley, K.A.9
Khunte, B.10
Limberakis, C.11
Price, D.A.12
Liras, S.13
Mathiowetz, A.M.14
Jacobson, M.P.15
Lokey, R.S.16
-
44
-
-
84897379530
-
Impact of stereospecific intramolecular hydrogen bonding on cell permeability and physicochemical properties
-
[44] Over, B., McCarren, P., Artursson, P., Foley, M., Giordanetto, F., Grönberg, G., Hilgendorf, C., Lee, M.D., Matsson, P., Muncipinto, G., Pellisson, M., Perry, M.W.D., Svensson, R., Duvall, J.D., Kihlberg, J., Impact of stereospecific intramolecular hydrogen bonding on cell permeability and physicochemical properties. J. Med. Chem. 57 (2014), 2746–2754.
-
(2014)
J. Med. Chem.
, vol.57
, pp. 2746-2754
-
-
Over, B.1
McCarren, P.2
Artursson, P.3
Foley, M.4
Giordanetto, F.5
Grönberg, G.6
Hilgendorf, C.7
Lee, M.D.8
Matsson, P.9
Muncipinto, G.10
Pellisson, M.11
Perry, M.W.D.12
Svensson, R.13
Duvall, J.D.14
Kihlberg, J.15
-
45
-
-
33644644973
-
Testing the conformational hypothesis of passive membrane permeability using synthetic cyclic peptide diastereomers
-
[45] Rezai, T., Yu, B., Millhauser, G.L., Jacobson, M.P., Lokey, R.S., Testing the conformational hypothesis of passive membrane permeability using synthetic cyclic peptide diastereomers. J. Am. Chem. Soc. 128 (2006), 2510–2511.
-
(2006)
J. Am. Chem. Soc.
, vol.128
, pp. 2510-2511
-
-
Rezai, T.1
Yu, B.2
Millhauser, G.L.3
Jacobson, M.P.4
Lokey, R.S.5
-
46
-
-
33750482579
-
Conformational flexibility, internal hydrogen bonding, and passive membrane permeability: successful in silico prediction of the relative permeabilities of cyclic peptides
-
[46] Rezai, T., Bock, J.E., Zhou, M.V., Kalyanaraman, C., Lokey, R.S., Jacobsen, M.P., Conformational flexibility, internal hydrogen bonding, and passive membrane permeability: successful in silico prediction of the relative permeabilities of cyclic peptides. J. Am. Chem. Soc. 128 (2006), 14073–14080.
-
(2006)
J. Am. Chem. Soc.
, vol.128
, pp. 14073-14080
-
-
Rezai, T.1
Bock, J.E.2
Zhou, M.V.3
Kalyanaraman, C.4
Lokey, R.S.5
Jacobsen, M.P.6
-
47
-
-
84921484823
-
Cell-permeable cyclic peptides from synthetic libraries inspired by natural products
-
[47] Hewitt, W.M., Leung, S.S.F., Pye, C.R., Ponkey, A.R., Bednarek, M., Jacobson, M.P., Lokey, R.S., Cell-permeable cyclic peptides from synthetic libraries inspired by natural products. J. Am. Chem. Soc. 137 (2015), 715–721.
-
(2015)
J. Am. Chem. Soc.
, vol.137
, pp. 715-721
-
-
Hewitt, W.M.1
Leung, S.S.F.2
Pye, C.R.3
Ponkey, A.R.4
Bednarek, M.5
Jacobson, M.P.6
Lokey, R.S.7
-
48
-
-
84907923894
-
Cyclic penta- and hexaleucine peptides without N-methylation are orally absorbed
-
[48] Hill, T.A., Lohman, R.-J., Hoang, H.N., Nielsen, D.S., Scully, C.C.G., Kok, W.M., Liu, L., Lucke, A.J., Stoermer, M.J., Schroeder, C.I., Chaousis, S., Colless, B., Bernhardt, P.V., Edmonds, D.J., Griffith, D.A., Rotter, C.J., Ruggeri, R.B., Price, D.A., Liras, S., Craik, D.J., Fairlie, D.P., Cyclic penta- and hexaleucine peptides without N-methylation are orally absorbed. ACS Med. Chem. Lett. 5 (2014), 1148–1151.
-
(2014)
ACS Med. Chem. Lett.
, vol.5
, pp. 1148-1151
-
-
Hill, T.A.1
Lohman, R.-J.2
Hoang, H.N.3
Nielsen, D.S.4
Scully, C.C.G.5
Kok, W.M.6
Liu, L.7
Lucke, A.J.8
Stoermer, M.J.9
Schroeder, C.I.10
Chaousis, S.11
Colless, B.12
Bernhardt, P.V.13
Edmonds, D.J.14
Griffith, D.A.15
Rotter, C.J.16
Ruggeri, R.B.17
Price, D.A.18
Liras, S.19
Craik, D.J.20
Fairlie, D.P.21
more..
-
49
-
-
84911489309
-
Improving on nature: making a cyclic heptapeptide orally bioavailable
-
[49] Nielsen, D.S., Hoang, H.N., Lohman, R.-J., Hill, T.A., Lucke, A.J., Craik, D.J., Edmonds, D.J., Griffith, D.A., Rotter, C.J., Ruggeri, R.B., Price, D.A., Liras, S., Fairlie, D.P., Improving on nature: making a cyclic heptapeptide orally bioavailable. Angew. Chem. Int. Ed. 53 (2014), 12059–12063.
-
(2014)
Angew. Chem. Int. Ed.
, vol.53
, pp. 12059-12063
-
-
Nielsen, D.S.1
Hoang, H.N.2
Lohman, R.-J.3
Hill, T.A.4
Lucke, A.J.5
Craik, D.J.6
Edmonds, D.J.7
Griffith, D.A.8
Rotter, C.J.9
Ruggeri, R.B.10
Price, D.A.11
Liras, S.12
Fairlie, D.P.13
-
50
-
-
84916618640
-
Rational design and synthesis of an orally bioavailable peptide guided by NMR amide temperature coefficients
-
[50] Wang, C.K., Northfield, S.E., Colless, B., Chaousis, S., Hamernig, I., Lohman, R.-J., Nielsen, D.S., Schroeder, C.I., Liras, S., Price, D.A., Fairlie, D.P., Craik, D.J., Rational design and synthesis of an orally bioavailable peptide guided by NMR amide temperature coefficients. Proc. Natl. Acad. Sci. U. S. A. 111 (2014), 17504–17509.
-
(2014)
Proc. Natl. Acad. Sci. U. S. A.
, vol.111
, pp. 17504-17509
-
-
Wang, C.K.1
Northfield, S.E.2
Colless, B.3
Chaousis, S.4
Hamernig, I.5
Lohman, R.-J.6
Nielsen, D.S.7
Schroeder, C.I.8
Liras, S.9
Price, D.A.10
Fairlie, D.P.11
Craik, D.J.12
-
51
-
-
84929084835
-
Exploring experimental and computational markers of cyclic peptides: charting islands of permeability
-
[51] Wang, C.K., Northfield, S.E., Swedberg, J.E., Colless, B., Chaousis, S., Price, D.A., Liras, S., Craik, D.J., Exploring experimental and computational markers of cyclic peptides: charting islands of permeability. Eur. J. Med. Chem. 97 (2015), 202–213.
-
(2015)
Eur. J. Med. Chem.
, vol.97
, pp. 202-213
-
-
Wang, C.K.1
Northfield, S.E.2
Swedberg, J.E.3
Colless, B.4
Chaousis, S.5
Price, D.A.6
Liras, S.7
Craik, D.J.8
-
52
-
-
84935898517
-
Probing the physicochemical boundaries of cell permeability and oral bioavailability in lipophilic macrocycles inspired by natural products
-
[52] Bockus, A.T., Lexa, K.W., Pye, C.R., Kalgutkar, A.S., Gardner, J.W., Hund, K.C.R., Hewitt, W.M., Schwochert, J.A., Glassey, E., Price, D.A., Mathiowetz, A.M., Liras, S., Jacobson, M.P., Lokey, R.S., Probing the physicochemical boundaries of cell permeability and oral bioavailability in lipophilic macrocycles inspired by natural products. J. Med. Chem. 58 (2015), 4581–4589.
-
(2015)
J. Med. Chem.
, vol.58
, pp. 4581-4589
-
-
Bockus, A.T.1
Lexa, K.W.2
Pye, C.R.3
Kalgutkar, A.S.4
Gardner, J.W.5
Hund, K.C.R.6
Hewitt, W.M.7
Schwochert, J.A.8
Glassey, E.9
Price, D.A.10
Mathiowetz, A.M.11
Liras, S.12
Jacobson, M.P.13
Lokey, R.S.14
-
53
-
-
84942288094
-
Going out on a limb: delineating the effects of β-branching, N-methylation, and side chain size on the passive permeability, solubility, and flexibility of sanguinamide A analogues
-
[53] Bockus, A.T., Schwochert, J.A., Pye, C.R., Townsend, C.E., Sok, V., Bednarek, M.A., Lokey, R.S., Going out on a limb: delineating the effects of β-branching, N-methylation, and side chain size on the passive permeability, solubility, and flexibility of sanguinamide A analogues. J. Med. Chem. 58 (2015), 7409–7418.
-
(2015)
J. Med. Chem.
, vol.58
, pp. 7409-7418
-
-
Bockus, A.T.1
Schwochert, J.A.2
Pye, C.R.3
Townsend, C.E.4
Sok, V.5
Bednarek, M.A.6
Lokey, R.S.7
-
54
-
-
84920272791
-
Improving the passive permeability of macrocyclic peptides: balancing permeability with other physicochemical properties
-
[54] Thansandote, P., Harris, R.M., Dexter, H.L., Simpson, G.L., Pal, S., Upton, R.J., Valko, K., Improving the passive permeability of macrocyclic peptides: balancing permeability with other physicochemical properties. Bioorg. Med. Chem. 23 (2015), 322–327.
-
(2015)
Bioorg. Med. Chem.
, vol.23
, pp. 322-327
-
-
Thansandote, P.1
Harris, R.M.2
Dexter, H.L.3
Simpson, G.L.4
Pal, S.5
Upton, R.J.6
Valko, K.7
-
55
-
-
84929353606
-
Enantiomeric cyclic peptides with different Caco-2 permeability suggest carrier-mediated transport
-
[55] Marelli, U.K., Bezençon, J., Puig, E., Ernst, B., Kessler, H., Enantiomeric cyclic peptides with different Caco-2 permeability suggest carrier-mediated transport. Chem. Eur. J. 21 (2015), 8023–8027.
-
(2015)
Chem. Eur. J.
, vol.21
, pp. 8023-8027
-
-
Marelli, U.K.1
Bezençon, J.2
Puig, E.3
Ernst, B.4
Kessler, H.5
-
56
-
-
84864182405
-
Intestinal permeability of cyclic peptides: common key backbone motifs identified
-
[56] Beck, J.G., Chatterjee, J., Laufer, B., Kiran, M.U., Frank, A.O., Neubauer, S., Ovadia, O., Greenberg, S., Gilon, C., Hoffman, A., Kessler, H., Intestinal permeability of cyclic peptides: common key backbone motifs identified. J. Am. Chem. Soc. 134 (2012), 12125–12133.
-
(2012)
J. Am. Chem. Soc.
, vol.134
, pp. 12125-12133
-
-
Beck, J.G.1
Chatterjee, J.2
Laufer, B.3
Kiran, M.U.4
Frank, A.O.5
Neubauer, S.6
Ovadia, O.7
Greenberg, S.8
Gilon, C.9
Hoffman, A.10
Kessler, H.11
-
57
-
-
41949086504
-
Improving oral bioavailability of peptides by multiple N-methylation: somatostatin analogues
-
[57] Biron, E., Chatterjee, J., Ovadia, O., Langenegger, D., Brueggen, J., Hoyer, D., Schmid, H.A., Jelinek, R., Gilon, C., Hoffman, A., Kessler, H., Improving oral bioavailability of peptides by multiple N-methylation: somatostatin analogues. Angew. Chem. Int. Ed. 47 (2008), 2595–2599.
-
(2008)
Angew. Chem. Int. Ed.
, vol.47
, pp. 2595-2599
-
-
Biron, E.1
Chatterjee, J.2
Ovadia, O.3
Langenegger, D.4
Brueggen, J.5
Hoyer, D.6
Schmid, H.A.7
Jelinek, R.8
Gilon, C.9
Hoffman, A.10
Kessler, H.11
-
58
-
-
84878789554
-
Form and function in cyclic peptide natural products: a pharmacokinetic perspective
-
[58] Bockus, A.T., McEwen, C.M., Lokey, R.S., Form and function in cyclic peptide natural products: a pharmacokinetic perspective. Curr. Top. Med. Chem. 13 (2013), 821–836.
-
(2013)
Curr. Top. Med. Chem.
, vol.13
, pp. 821-836
-
-
Bockus, A.T.1
McEwen, C.M.2
Lokey, R.S.3
-
59
-
-
84942253842
-
Beyond cyclosporine A: conformation-dependent passive membrane permeabilities of cyclic peptide natural products
-
[59] Ahlbach, C.L., Lexa, K.W., Bockus, A.T., Chen, V., Crews, P., Jacobson, M.P., Lokey, R.S., Beyond cyclosporine A: conformation-dependent passive membrane permeabilities of cyclic peptide natural products. Future Med. Chem. 7 (2015), 2121–2130.
-
(2015)
Future Med. Chem.
, vol.7
, pp. 2121-2130
-
-
Ahlbach, C.L.1
Lexa, K.W.2
Bockus, A.T.3
Chen, V.4
Crews, P.5
Jacobson, M.P.6
Lokey, R.S.7
-
60
-
-
79960153981
-
Intramolecular hydrogen bonding to improve membrane permeability and absorption in beyond rule of five chemical space
-
[60] Alex, A., Millan, D.S., Perez, M., Wakenhut, F., Whitlock, G.A., Intramolecular hydrogen bonding to improve membrane permeability and absorption in beyond rule of five chemical space. Med. Chem. Commun. 2 (2011), 669–674.
-
(2011)
Med. Chem. Commun.
, vol.2
, pp. 669-674
-
-
Alex, A.1
Millan, D.S.2
Perez, M.3
Wakenhut, F.4
Whitlock, G.A.5
-
61
-
-
84859788959
-
Predicting and improving the membrane permeability of peptidic small molecules
-
[61] Rafi, S.B., Hearn, B.R., Vedantham, P., Jacobson, M.P., Renslo, A.R., Predicting and improving the membrane permeability of peptidic small molecules. J. Med. Chem. 55 (2011), 3163–3169.
-
(2011)
J. Med. Chem.
, vol.55
, pp. 3163-3169
-
-
Rafi, S.B.1
Hearn, B.R.2
Vedantham, P.3
Jacobson, M.P.4
Renslo, A.R.5
-
62
-
-
84903818637
-
The discovery of potent nonstructural protein 5A (NS5A) inhibitors with a unique resistance profile-part 2
-
[62] Wakenhut, F., Tran, T.D., Pickford, C., Shaw, S., Westby, M., Smith-Burchnell, C., Watson, L., Paradowski, M., Milbank, J., Stonehouse, D., Cheung, K., Wybrow, R., Daverio, F., Crook, S., Statham, K., Leese, D., Stead, D., Adam, F., Hay, D., Roberts, L.R., Chiva, J.-Y., Nichols, C., Blakemore, D.C., Goetz, G.H., Che, Y., Gardner, I., Dayal, S., Pike, A., Webster, R., Pryde, D.C., The discovery of potent nonstructural protein 5A (NS5A) inhibitors with a unique resistance profile-part 2. ChemMedChem 9 (2014), 1387–1396.
-
(2014)
ChemMedChem
, vol.9
, pp. 1387-1396
-
-
Wakenhut, F.1
Tran, T.D.2
Pickford, C.3
Shaw, S.4
Westby, M.5
Smith-Burchnell, C.6
Watson, L.7
Paradowski, M.8
Milbank, J.9
Stonehouse, D.10
Cheung, K.11
Wybrow, R.12
Daverio, F.13
Crook, S.14
Statham, K.15
Leese, D.16
Stead, D.17
Adam, F.18
Hay, D.19
Roberts, L.R.20
Chiva, J.-Y.21
Nichols, C.22
Blakemore, D.C.23
Goetz, G.H.24
Che, Y.25
Gardner, I.26
Dayal, S.27
Pike, A.28
Webster, R.29
Pryde, D.C.30
more..
-
63
-
-
84879599196
-
Integrating intramolecular hydrogen bonding (IMHB) considerations in drug discovery using ΔlogP as a tool
-
[63] Shalaeva, M., Caron, G., Abramov, Y.A., O'Connell, T.N., Plummer, M.S., Yalamanchi, G., Farley, K.A., Goetz, G.H., Philippe, L., Shapiro, M.J., Integrating intramolecular hydrogen bonding (IMHB) considerations in drug discovery using ΔlogP as a tool. J. Med. Chem. 56 (2013), 4870–4879.
-
(2013)
J. Med. Chem.
, vol.56
, pp. 4870-4879
-
-
Shalaeva, M.1
Caron, G.2
Abramov, Y.A.3
O'Connell, T.N.4
Plummer, M.S.5
Yalamanchi, G.6
Farley, K.A.7
Goetz, G.H.8
Philippe, L.9
Shapiro, M.J.10
-
64
-
-
84898441883
-
A high throughput method for the indirect detection of intramolecular hydrogen bonding
-
[64] Goetz, G.H., Farrell, W., Shalaeva, M., Sciabola, S., Anderson, D.P., Yan, J., Philippe, L., Shapiro, M.J., A high throughput method for the indirect detection of intramolecular hydrogen bonding. J. Med. Chem. 57 (2014), 2920–2929.
-
(2014)
J. Med. Chem.
, vol.57
, pp. 2920-2929
-
-
Goetz, G.H.1
Farrell, W.2
Shalaeva, M.3
Sciabola, S.4
Anderson, D.P.5
Yan, J.6
Philippe, L.7
Shapiro, M.J.8
-
65
-
-
77949799227
-
Intramolecular hydrogen bonding in medicinal chemistry
-
[65] Kuhn, B., Mohr, P., Stahl, M., Intramolecular hydrogen bonding in medicinal chemistry. J. Med. Chem. 53 (2010), 2601–2611.
-
(2010)
J. Med. Chem.
, vol.53
, pp. 2601-2611
-
-
Kuhn, B.1
Mohr, P.2
Stahl, M.3
-
66
-
-
46449115901
-
The exploration of macrocycles for drug discovery — an underexploited structural class
-
[66] Driggers, E.M., Hale, S.P., Lee, J., Terrett, N.F., The exploration of macrocycles for drug discovery — an underexploited structural class. Nat. Rev. Drug Discov. 7 (2008), 608–624.
-
(2008)
Nat. Rev. Drug Discov.
, vol.7
, pp. 608-624
-
-
Driggers, E.M.1
Hale, S.P.2
Lee, J.3
Terrett, N.F.4
-
67
-
-
77955615249
-
Chemoinformatic analysis of biologically active macrocycles
-
[67] Brandt, W., Haupt, V.J., Wessjohann, L.A., Chemoinformatic analysis of biologically active macrocycles. Curr. Top. Med. Chem. 10 (2010), 1361–1379.
-
(2010)
Curr. Top. Med. Chem.
, vol.10
, pp. 1361-1379
-
-
Brandt, W.1
Haupt, V.J.2
Wessjohann, L.A.3
-
68
-
-
84864679725
-
Macrocycles in new drug discovery
-
[68] Mallinson, J., Collins, I., Macrocycles in new drug discovery. Future Med. Chem. 4 (2012), 1409–1438.
-
(2012)
Future Med. Chem.
, vol.4
, pp. 1409-1438
-
-
Mallinson, J.1
Collins, I.2
-
69
-
-
80055009977
-
Comparison of diffusion coefficients for matched pairs of macrocyclic and linear molecules over a drug-like molecular weight range
-
[69] Bogdan, A.R., Davies, N.L., James, K., Comparison of diffusion coefficients for matched pairs of macrocyclic and linear molecules over a drug-like molecular weight range. Org. Biomol. Chem. 9 (2011), 7727–7733.
-
(2011)
Org. Biomol. Chem.
, vol.9
, pp. 7727-7733
-
-
Bogdan, A.R.1
Davies, N.L.2
James, K.3
-
70
-
-
0030951009
-
Effect of restricted conformational flexibility on the permeation of model hexapeptides across Caco-2 cell monolayers
-
[70] Okumu, F.W., Pauletti, G.M., Vander Velde, D.G., Siahaan, T.J., Borchardt, R.T., Effect of restricted conformational flexibility on the permeation of model hexapeptides across Caco-2 cell monolayers. Pharm. Res. 14 (1997), 169–175.
-
(1997)
Pharm. Res.
, vol.14
, pp. 169-175
-
-
Okumu, F.W.1
Pauletti, G.M.2
Vander Velde, D.G.3
Siahaan, T.J.4
Borchardt, R.T.5
-
71
-
-
33745135773
-
Recent developments of the chemistry development kit (CDK) — an open-source java library for chemo- and bioinformatics
-
[71] Steinbeck, C., Hoppe, C., Kuhn, S., Floris, M., Guha, R., Willighagen, E.L., Recent developments of the chemistry development kit (CDK) — an open-source java library for chemo- and bioinformatics. Curr. Pharm. Des. 12 (2006), 2111–2120.
-
(2006)
Curr. Pharm. Des.
, vol.12
, pp. 2111-2120
-
-
Steinbeck, C.1
Hoppe, C.2
Kuhn, S.3
Floris, M.4
Guha, R.5
Willighagen, E.L.6
-
72
-
-
84937433677
-
Optimizing the permeability and oral bioavailability of macrocycles
-
[72] Mathiowetz, A.M., Leung, S.S., Jacobson, M.P., Optimizing the permeability and oral bioavailability of macrocycles. Macrocycles in Drug Discovery, 2014, 367.
-
(2014)
Macrocycles in Drug Discovery
, pp. 367
-
-
Mathiowetz, A.M.1
Leung, S.S.2
Jacobson, M.P.3
-
73
-
-
0030030608
-
Correlation of drug absorption with molecular surface properties
-
[73] 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.
-
(1996)
J. Pharm. Sci.
, vol.85
, pp. 32-39
-
-
Palm, K.1
Luthman, K.2
Ungell, A.L.3
Strandlund, G.4
Artursson, P.5
-
74
-
-
0030481554
-
Estimation of Caco‐2 cell permeability using calculated molecular descriptors
-
[74] van De Waterbeemd, H., Camenisch, G., Folkers, G., Raevsky, O.A., Estimation of Caco‐2 cell permeability using calculated molecular descriptors. Quant. Struct.-Act. Relat. 15 (1996), 480–490.
-
(1996)
Quant. Struct.-Act. Relat.
, vol.15
, pp. 480-490
-
-
van De Waterbeemd, H.1
Camenisch, G.2
Folkers, G.3
Raevsky, O.A.4
-
75
-
-
48549086653
-
Estimation of ADME properties in drug discovery: predicting Caco‐2 cell permeability using atom‐based stochastic and non‐stochastic linear indices
-
[75] Castillo‐Garit, J.A., Marrero‐Ponce, Y., Torrens, F., García‐Domenech, R., Estimation of ADME properties in drug discovery: predicting Caco‐2 cell permeability using atom‐based stochastic and non‐stochastic linear indices. J. Pharm. Sci. 97 (2008), 1946–1976.
-
(2008)
J. Pharm. Sci.
, vol.97
, pp. 1946-1976
-
-
Castillo‐Garit, J.A.1
Marrero‐Ponce, Y.2
Torrens, F.3
García‐Domenech, R.4
-
76
-
-
8544284098
-
A general model for prediction of Caco‐2 cell permeability
-
[76] Nordqvist, A., Nilsson, J., Lindmark, T., Eriksson, A., Garberg, P., Kihlén, M., A general model for prediction of Caco‐2 cell permeability. QSAR Comb. Sci. 23 (2004), 303–310.
-
(2004)
QSAR Comb. Sci.
, vol.23
, pp. 303-310
-
-
Nordqvist, A.1
Nilsson, J.2
Lindmark, T.3
Eriksson, A.4
Garberg, P.5
Kihlén, M.6
-
77
-
-
0037204547
-
Prediction of intestinal permeability
-
[77] Egan, W.J., Lauri, G., Prediction of intestinal permeability. Adv. Drug Deliv. Rev. 54 (2002), 273–289.
-
(2002)
Adv. Drug Deliv. Rev.
, vol.54
, pp. 273-289
-
-
Egan, W.J.1
Lauri, G.2
-
78
-
-
0023902147
-
Development of a new physicochemical model for brain penetration and its application to the design of centrally acting H2 receptor histamine antagonists
-
[78] Young, R.C., Mitchell, R.C., Brown, T.H., Ganellin, C.R., Griffiths, R., Jones, M., Rana, K.K., Saunders, D., Smith, I.R., Sore, N.E., et al. Development of a new physicochemical model for brain penetration and its application to the design of centrally acting H2 receptor histamine antagonists. J. Med. Chem. 31 (1988), 656–671.
-
(1988)
J. Med. Chem.
, vol.31
, pp. 656-671
-
-
Young, R.C.1
Mitchell, R.C.2
Brown, T.H.3
Ganellin, C.R.4
Griffiths, R.5
Jones, M.6
Rana, K.K.7
Saunders, D.8
Smith, I.R.9
Sore, N.E.10
-
79
-
-
84862876883
-
Testing physical models of passive membrane permeation
-
[79] Leung, S.S., Mijalkovic, J., Borrelli, K., Jacobson, M.P., Testing physical models of passive membrane permeation. J. Chem. Inf. Model. 52 (2012), 1621–1636.
-
(2012)
J. Chem. Inf. Model.
, vol.52
, pp. 1621-1636
-
-
Leung, S.S.1
Mijalkovic, J.2
Borrelli, K.3
Jacobson, M.P.4
-
80
-
-
2342505916
-
Permeation of small molecules through a lipid bilayer: a computer simulation study
-
[80] Bemporad, D., Essex, J.W., Luttmann, C., Permeation of small molecules through a lipid bilayer: a computer simulation study. J. Phys. Chem. B 108 (2004), 4875–4884.
-
(2004)
J. Phys. Chem. B
, vol.108
, pp. 4875-4884
-
-
Bemporad, D.1
Essex, J.W.2
Luttmann, C.3
-
81
-
-
1842532008
-
A hierarchical approach to all‐atom protein loop prediction
-
[81] Jacobson, M.P., Pincus, D.L., Rapp, C.S., Day, T.J., Honig, B., Shaw, D.E., Friesner, R.A., A hierarchical approach to all‐atom protein loop prediction. Proteins 55 (2004), 351–367.
-
(2004)
Proteins
, vol.55
, pp. 351-367
-
-
Jacobson, M.P.1
Pincus, D.L.2
Rapp, C.S.3
Day, T.J.4
Honig, B.5
Shaw, D.E.6
Friesner, R.A.7
-
82
-
-
84871370812
-
Back to the future: can physical models of passive membrane permeability help reduce drug candidate attrition and move us beyond QSPR?
-
[82] Swift, R.V., Amaro, R.E., Back to the future: can physical models of passive membrane permeability help reduce drug candidate attrition and move us beyond QSPR?. Chem. Biol. Drug Des. 81 (2013), 61–71.
-
(2013)
Chem. Biol. Drug Des.
, vol.81
, pp. 61-71
-
-
Swift, R.V.1
Amaro, R.E.2
-
83
-
-
84938301217
-
A call for systematic research on solute carriers
-
[83] Cesar-Razquin, A., Snijder, B., Frappier-Brinton, T., Isserlin, R., Gyimesi, G., Bai, X., Reithmeier, R.A., Hepworth, D., Hediger, M.A., Edwards, A.M., Superti-Furga, G., A call for systematic research on solute carriers. Cell 162 (2015), 478–487.
-
(2015)
Cell
, vol.162
, pp. 478-487
-
-
Cesar-Razquin, A.1
Snijder, B.2
Frappier-Brinton, T.3
Isserlin, R.4
Gyimesi, G.5
Bai, X.6
Reithmeier, R.A.7
Hepworth, D.8
Hediger, M.A.9
Edwards, A.M.10
Superti-Furga, G.11
-
84
-
-
77649216536
-
Membrane transporters in drug development
-
[84] Giacomini, K., Huang, S., Tweedie, D., Benet, L., Brouwer, K., Chu, X., Dahlin, A., Evers, R., Fischer, V., Hillgren, K., Hoffmaster, K., Ishikawa, T., Keppler, D., Kim, R., Lee, C., Niemi, M., Polli, J., Sugiyama, Y., Swaan, P., Ware, J., Wright, S., Yee, S., Zamek-Gliszczynski, M., Zhang, L., Membrane transporters in drug development. Nat. Rev. Drug Discov. 9 (2010), 215–236.
-
(2010)
Nat. Rev. Drug Discov.
, vol.9
, pp. 215-236
-
-
Giacomini, K.1
Huang, S.2
Tweedie, D.3
Benet, L.4
Brouwer, K.5
Chu, X.6
Dahlin, A.7
Evers, R.8
Fischer, V.9
Hillgren, K.10
Hoffmaster, K.11
Ishikawa, T.12
Keppler, D.13
Kim, R.14
Lee, C.15
Niemi, M.16
Polli, J.17
Sugiyama, Y.18
Swaan, P.19
Ware, J.20
Wright, S.21
Yee, S.22
Zamek-Gliszczynski, M.23
Zhang, L.24
more..
-
85
-
-
84875123211
-
The ABCs of membrane transporters in health and disease (SLC series): introduction
-
[85] Hediger, M., Clemencon, B., Burrier, R., Bruford, E., The ABCs of membrane transporters in health and disease (SLC series): introduction. Mol. Asp. Med. 34 (2013), 95–107.
-
(2013)
Mol. Asp. Med.
, vol.34
, pp. 95-107
-
-
Hediger, M.1
Clemencon, B.2
Burrier, R.3
Bruford, E.4
-
86
-
-
84879409509
-
Emerging transporters of clinical importance: an update from the international transporter consortium
-
[86] Hillgren, K., Keppler, D., Zur, A., Giacomini, K., Stieger, B., Cass, C., Zhang, L., Emerging transporters of clinical importance: an update from the international transporter consortium. Clin. Pharmacol. Ther. 94 (2013), 52–63.
-
(2013)
Clin. Pharmacol. Ther.
, vol.94
, pp. 52-63
-
-
Hillgren, K.1
Keppler, D.2
Zur, A.3
Giacomini, K.4
Stieger, B.5
Cass, C.6
Zhang, L.7
-
87
-
-
65549121495
-
Human ATP-binding cassette (ABC) transporter family
-
[87] Vasiliou, V., Vasiliou, K., Nebert, D.W., Human ATP-binding cassette (ABC) transporter family. Hum. Genomics 3 (2009), 281–290.
-
(2009)
Hum. Genomics
, vol.3
, pp. 281-290
-
-
Vasiliou, V.1
Vasiliou, K.2
Nebert, D.W.3
-
88
-
-
84938420944
-
SLC transporters as therapeutic targets: emerging opportunities
-
[88] Lin, L., Yee, S.W., Kim, R.B., Giacomini, K.M., SLC transporters as therapeutic targets: emerging opportunities. Nat. Rev. Drug Discov. 14 (2015), 543–560.
-
(2015)
Nat. Rev. Drug Discov.
, vol.14
, pp. 543-560
-
-
Lin, L.1
Yee, S.W.2
Kim, R.B.3
Giacomini, K.M.4
-
89
-
-
77249136416
-
Comparison of human solute carriers
-
[89] Schlessinger, A., Matsson, P., Shima, J., Pieper, U., Yee, S., Kelly, L., Apeltsin, L., Stroud, R., Ferrin, T., Giacomini, K., Sali, A., Comparison of human solute carriers. Protein Sci. 19 (2010), 412–428.
-
(2010)
Protein Sci.
, vol.19
, pp. 412-428
-
-
Schlessinger, A.1
Matsson, P.2
Shima, J.3
Pieper, U.4
Yee, S.5
Kelly, L.6
Apeltsin, L.7
Stroud, R.8
Ferrin, T.9
Giacomini, K.10
Sali, A.11
-
90
-
-
40049110714
-
Carrier-mediated cellular uptake of pharmaceutical drugs: an exception or the rule?
-
[90] Dobson, P.D., Kell, D.B., Carrier-mediated cellular uptake of pharmaceutical drugs: an exception or the rule?. Nat. Rev. Drug Discov. 7 (2008), 205–220.
-
(2008)
Nat. Rev. Drug Discov.
, vol.7
, pp. 205-220
-
-
Dobson, P.D.1
Kell, D.B.2
-
91
-
-
84864612910
-
Evidence-based approach to assess passive diffusion and carrier-mediated drug transport
-
[91] Di, L., Artursson, P., Avdeef, A., Ecker, G.F., Faller, B., Fischer, H., Houston, J.B., Kansy, M., Kerns, E.H., Kramer, S.D., Lennernas, H., Sugano, K., Evidence-based approach to assess passive diffusion and carrier-mediated drug transport. Drug Discov. Today 17 (2012), 905–912.
-
(2012)
Drug Discov. Today
, vol.17
, pp. 905-912
-
-
Di, L.1
Artursson, P.2
Avdeef, A.3
Ecker, G.F.4
Faller, B.5
Fischer, H.6
Houston, J.B.7
Kansy, M.8
Kerns, E.H.9
Kramer, S.D.10
Lennernas, H.11
Sugano, K.12
-
92
-
-
77955159974
-
Coexistence of passive and carrier-mediated processes in drug transport
-
[92] Sugano, K., Kansy, M., Artursson, P., Avdeef, A., Bendels, S., Di, L., Ecker, G.F., Faller, B., Fischer, H., Gerebtzoff, G., Lennernaes, H., Senner, F., Coexistence of passive and carrier-mediated processes in drug transport. Nat. Rev. Drug Discov. 9 (2010), 597–614.
-
(2010)
Nat. Rev. Drug Discov.
, vol.9
, pp. 597-614
-
-
Sugano, K.1
Kansy, M.2
Artursson, P.3
Avdeef, A.4
Bendels, S.5
Di, L.6
Ecker, G.F.7
Faller, B.8
Fischer, H.9
Gerebtzoff, G.10
Lennernaes, H.11
Senner, F.12
-
93
-
-
84939950031
-
Quantifying the impact of transporters on cellular drug permeability
-
[93] Matsson, P., Fenu, L.A., Lundquist, P., Wisniewski, J.R., Kansy, M., Artursson, P., Quantifying the impact of transporters on cellular drug permeability. Trends Pharmacol. Sci. 36 (2015), 255–262.
-
(2015)
Trends Pharmacol. Sci.
, vol.36
, pp. 255-262
-
-
Matsson, P.1
Fenu, L.A.2
Lundquist, P.3
Wisniewski, J.R.4
Kansy, M.5
Artursson, P.6
-
94
-
-
17644380257
-
Predicting drug disposition via application of BCS: transport/absorption/elimination interplay and development of a biopharmaceutics drug disposition classification system
-
[94] Wu, C.Y., Benet, L.Z., Predicting drug disposition via application of BCS: transport/absorption/elimination interplay and development of a biopharmaceutics drug disposition classification system. Pharm. Res. 22 (2005), 11–23.
-
(2005)
Pharm. Res.
, vol.22
, pp. 11-23
-
-
Wu, C.Y.1
Benet, L.Z.2
-
95
-
-
84875761790
-
Integration of in silico and in vitro tools for scaffold optimization during drug discovery: predicting P-glycoprotein efflux
-
[95] Desai, P.V., Sawada, G.A., Watson, I.A., Raub, T.J., Integration of in silico and in vitro tools for scaffold optimization during drug discovery: predicting P-glycoprotein efflux. Mol. Pharm. 10 (2013), 1249–1261.
-
(2013)
Mol. Pharm.
, vol.10
, pp. 1249-1261
-
-
Desai, P.V.1
Sawada, G.A.2
Watson, I.A.3
Raub, T.J.4
-
96
-
-
84879409100
-
Computational prospecting for drug-transporter interactions
-
[96] Matsson, P., Artursson, P., Computational prospecting for drug-transporter interactions. Clin. Pharmacol. Ther. 94 (2013), 30–32.
-
(2013)
Clin. Pharmacol. Ther.
, vol.94
, pp. 30-32
-
-
Matsson, P.1
Artursson, P.2
-
97
-
-
84988598646
-
Computational modeling to predict the functions and impact of drug transporters
-
[97] Matsson, P., Bergstrom, C., Computational modeling to predict the functions and impact of drug transporters. Silico Pharmacol., 3, 2015, 8.
-
(2015)
Silico Pharmacol.
, vol.3
, pp. 8
-
-
Matsson, P.1
Bergstrom, C.2
-
98
-
-
84931335504
-
Metrabase: a cheminformatics and bioinformatics database for small molecule transporter data analysis and (Q)SAR modeling
-
[98] Mak, L., Marcus, D., Howlett, A., Yarova, G., Duchateau, G., Klaffke, W., Bender, A., Glen, R.C., Metrabase: a cheminformatics and bioinformatics database for small molecule transporter data analysis and (Q)SAR modeling. J. Cheminformatics, 7, 2015, 31.
-
(2015)
J. Cheminformatics
, vol.7
, pp. 31
-
-
Mak, L.1
Marcus, D.2
Howlett, A.3
Yarova, G.4
Duchateau, G.5
Klaffke, W.6
Bender, A.7
Glen, R.C.8
-
99
-
-
84865272921
-
Annotating human P-glycoprotein bioassay data
-
[99] Zdrazil, B., Pinto, M., Vasanthanathan, P., Williams, A.J., Balderud, L.Z., Engkvist, O., Chichester, C., Hersey, A., Overington, J.P., Ecker, G.F., Annotating human P-glycoprotein bioassay data. Mol. Inf. 31 (2012), 599–609.
-
(2012)
Mol. Inf.
, vol.31
, pp. 599-609
-
-
Zdrazil, B.1
Pinto, M.2
Vasanthanathan, P.3
Williams, A.J.4
Balderud, L.Z.5
Engkvist, O.6
Chichester, C.7
Hersey, A.8
Overington, J.P.9
Ecker, G.F.10
-
100
-
-
17644409999
-
Transporter database, TP-Search: a web-accessible comprehensive database for research in pharmacokinetics of drugs
-
[100] Ozawa, N., Shimizu, T., Morita, R., Yokono, Y., Ochiai, T., Munesada, K., Ohashi, A., Aida, Y., Hama, Y., Taki, K., Maeda, K., Kusuhara, H., Sugiyama, Y., Transporter database, TP-Search: a web-accessible comprehensive database for research in pharmacokinetics of drugs. Pharm. Res. 21 (2004), 2133–2134.
-
(2004)
Pharm. Res.
, vol.21
, pp. 2133-2134
-
-
Ozawa, N.1
Shimizu, T.2
Morita, R.3
Yokono, Y.4
Ochiai, T.5
Munesada, K.6
Ohashi, A.7
Aida, Y.8
Hama, Y.9
Taki, K.10
Maeda, K.11
Kusuhara, H.12
Sugiyama, Y.13
-
101
-
-
84876473356
-
Human intestinal transporter database: QSAR modeling and virtual profiling of drug uptake, efflux and interactions
-
[101] Sedykh, A., Fourches, D., Duan, J., Hucke, O., Garneau, M., Zhu, H., Bonneau, P., Tropsha, A., Human intestinal transporter database: QSAR modeling and virtual profiling of drug uptake, efflux and interactions. Pharm. Res. 30 (2013), 996–1007.
-
(2013)
Pharm. Res.
, vol.30
, pp. 996-1007
-
-
Sedykh, A.1
Fourches, D.2
Duan, J.3
Hucke, O.4
Garneau, M.5
Zhu, H.6
Bonneau, P.7
Tropsha, A.8
-
102
-
-
33644876210
-
DrugBank: a comprehensive resource for in silico drug discovery and exploration
-
[102] Wishart, D.S., Knox, C., Guo, A.C., Shrivastava, S., Hassanali, M., Stothard, P., Chang, Z., Woolsey, J., DrugBank: a comprehensive resource for in silico drug discovery and exploration. Nucleic Acids Res. 34 (2006), D668–D672.
-
(2006)
Nucleic Acids Res.
, vol.34
, pp. D668-D672
-
-
Wishart, D.S.1
Knox, C.2
Guo, A.C.3
Shrivastava, S.4
Hassanali, M.5
Stothard, P.6
Chang, Z.7
Woolsey, J.8
-
103
-
-
63449139456
-
Structure of P-glycoprotein reveals a molecular basis for poly-specific drug binding
-
[103] Aller, S.G., Yu, J., Ward, A., Weng, Y., Chittaboina, S., Zhuo, R., Harrell, P.M., Trinh, Y.T., Zhang, Q., Urbatsch, I.L., Chang, G., Structure of P-glycoprotein reveals a molecular basis for poly-specific drug binding. Science (New York, N.Y.) 323 (2009), 1718–1722.
-
(2009)
Science (New York, N.Y.)
, vol.323
, pp. 1718-1722
-
-
Aller, S.G.1
Yu, J.2
Ward, A.3
Weng, Y.4
Chittaboina, S.5
Zhuo, R.6
Harrell, P.M.7
Trinh, Y.T.8
Zhang, Q.9
Urbatsch, I.L.10
Chang, G.11
-
104
-
-
84882338908
-
Structures of P-glycoprotein reveal its conformational flexibility and an epitope on the nucleotide-binding domain
-
[104] Ward, A.B., Szewczyk, P., Grimard, V., Lee, C.W., Martinez, L., Doshi, R., Caya, A., Villaluz, M., Pardon, E., Cregger, C., Swartz, D.J., Falson, P.G., Urbatsch, I.L., Govaerts, C., Steyaert, J., Chang, G., Structures of P-glycoprotein reveal its conformational flexibility and an epitope on the nucleotide-binding domain. Proc. Natl. Acad. Sci. U. S. A. 110 (2013), 13386–13391.
-
(2013)
Proc. Natl. Acad. Sci. U. S. A.
, vol.110
, pp. 13386-13391
-
-
Ward, A.B.1
Szewczyk, P.2
Grimard, V.3
Lee, C.W.4
Martinez, L.5
Doshi, R.6
Caya, A.7
Villaluz, M.8
Pardon, E.9
Cregger, C.10
Swartz, D.J.11
Falson, P.G.12
Urbatsch, I.L.13
Govaerts, C.14
Steyaert, J.15
Chang, G.16
-
105
-
-
84902002905
-
Crystal structure of the human glucose transporter GLUT1
-
[105] Deng, D., Xu, C., Sun, P., Wu, J., Yan, C., Hu, M., Yan, N., Crystal structure of the human glucose transporter GLUT1. Nature 510 (2014), 121–125.
-
(2014)
Nature
, vol.510
, pp. 121-125
-
-
Deng, D.1
Xu, C.2
Sun, P.3
Wu, J.4
Yan, C.5
Hu, M.6
Yan, N.7
-
106
-
-
67149094976
-
Structure of a multidrug transporter
-
[106] Gottesman, M.M., Ambudkar, S.V., Xia, D., Structure of a multidrug transporter. Nat. Biotechnol. 27 (2009), 546–547.
-
(2009)
Nat. Biotechnol.
, vol.27
, pp. 546-547
-
-
Gottesman, M.M.1
Ambudkar, S.V.2
Xia, D.3
-
107
-
-
58149233796
-
A competitive inhibitor traps LeuT in an open-to-out conformation
-
[107] Singh, S.K., Piscitelli, C.L., Yamashita, A., Gouaux, E., A competitive inhibitor traps LeuT in an open-to-out conformation. Science (New York, N.Y.) 322 (2008), 1655–1661.
-
(2008)
Science (New York, N.Y.)
, vol.322
, pp. 1655-1661
-
-
Singh, S.K.1
Piscitelli, C.L.2
Yamashita, A.3
Gouaux, E.4
-
108
-
-
84896275496
-
Discovery of danoprevir (ITMN-191/R7227), a highly selective and potent inhibitor of hepatitis C virus (HCV) NS3/4A protease
-
[108] Jiang, Y., Andrews, S.W., Condroski, K.R., Buckman, B., Serebryany, V., Wenglowsky, S., Kennedy, A.L., Madduru, M.R., Wang, B., Lyon, M., Doherty, G.A., Woodard, B.T., Lemieux, C., Do, M.G., Zhang, H., Ballard, J., Vigers, G., Brandhuber, B.J., Stengel, P., Josey, J.A., Beigelman, L., Blatt, L., Seiwert, S.D., Discovery of danoprevir (ITMN-191/R7227), a highly selective and potent inhibitor of hepatitis C virus (HCV) NS3/4A protease. J. Med. Chem. 57 (2014), 1753–1769.
-
(2014)
J. Med. Chem.
, vol.57
, pp. 1753-1769
-
-
Jiang, Y.1
Andrews, S.W.2
Condroski, K.R.3
Buckman, B.4
Serebryany, V.5
Wenglowsky, S.6
Kennedy, A.L.7
Madduru, M.R.8
Wang, B.9
Lyon, M.10
Doherty, G.A.11
Woodard, B.T.12
Lemieux, C.13
Do, M.G.14
Zhang, H.15
Ballard, J.16
Vigers, G.17
Brandhuber, B.J.18
Stengel, P.19
Josey, J.A.20
Beigelman, L.21
Blatt, L.22
Seiwert, S.D.23
more..
-
109
-
-
84893860634
-
Bridging in vitro and in vivo metabolism and transport of faldaprevir in human using a novel cocultured human hepatocyte system, HepatoPac
-
[109] Ramsden, D., Tweedie, D.J., Chan, T.S., Taub, M.E., Li, Y., Bridging in vitro and in vivo metabolism and transport of faldaprevir in human using a novel cocultured human hepatocyte system, HepatoPac. Drug Metab. Dispos. 42 (2014), 394–406.
-
(2014)
Drug Metab. Dispos.
, vol.42
, pp. 394-406
-
-
Ramsden, D.1
Tweedie, D.J.2
Chan, T.S.3
Taub, M.E.4
Li, Y.5
-
110
-
-
84864387126
-
MK-5172, a selective inhibitor of hepatitis C virus NS3/4a protease with broad activity across genotypes and resistant variants
-
[110] Summa, V., Ludmerer, S.W., McCauley, J.A., Fandozzi, C., Burlein, C., Claudio, G., Coleman, P.J., DiMuzio, J.M., Ferrara, M., Di Filippo, M., Gates, A.T., Graham, D.J., Harper, S., Hazuda, D.J., McHale, C., Monteagudo, E., Pucci, V., Rowley, M., Rudd, M.T., Soriano, A., Stahlhut, M.W., Vacca, J.P., Olsen, D.B., Liverton, N.J., Carroll, S.S., MK-5172, a selective inhibitor of hepatitis C virus NS3/4a protease with broad activity across genotypes and resistant variants. Antimicrob. Agents Chemother. 56 (2012), 4161–4167.
-
(2012)
Antimicrob. Agents Chemother.
, vol.56
, pp. 4161-4167
-
-
Summa, V.1
Ludmerer, S.W.2
McCauley, J.A.3
Fandozzi, C.4
Burlein, C.5
Claudio, G.6
Coleman, P.J.7
DiMuzio, J.M.8
Ferrara, M.9
Di Filippo, M.10
Gates, A.T.11
Graham, D.J.12
Harper, S.13
Hazuda, D.J.14
McHale, C.15
Monteagudo, E.16
Pucci, V.17
Rowley, M.18
Rudd, M.T.19
Soriano, A.20
Stahlhut, M.W.21
Vacca, J.P.22
Olsen, D.B.23
Liverton, N.J.24
Carroll, S.S.25
more..
-
111
-
-
56549111157
-
Influence of solute carriers on the pharmacokinetics of CYP3A4 probes
-
[111] Franke, R.M., Baker, S.D., Mathijssen, R.H., Schuetz, E.G., Sparreboom, A., Influence of solute carriers on the pharmacokinetics of CYP3A4 probes. Clin. Pharmacol. Ther. 84 (2008), 704–709.
-
(2008)
Clin. Pharmacol. Ther.
, vol.84
, pp. 704-709
-
-
Franke, R.M.1
Baker, S.D.2
Mathijssen, R.H.3
Schuetz, E.G.4
Sparreboom, A.5
-
112
-
-
57349155622
-
Involvement of intestinal uptake transporters in the absorption of azithromycin and clarithromycin in the rat
-
[112] Garver, E., Hugger, E.D., Shearn, S.P., Rao, A., Dawson, P.A., Davis, C.B., Han, C., Involvement of intestinal uptake transporters in the absorption of azithromycin and clarithromycin in the rat. Drug Metab. Dispos. 36 (2008), 2492–2498.
-
(2008)
Drug Metab. Dispos.
, vol.36
, pp. 2492-2498
-
-
Garver, E.1
Hugger, E.D.2
Shearn, S.P.3
Rao, A.4
Dawson, P.A.5
Davis, C.B.6
Han, C.7
-
113
-
-
71049189272
-
Interaction of macrolide antibiotics with intestinally expressed human and rat organic anion-transporting polypeptides
-
[113] Lan, T., Rao, A., Haywood, J., Davis, C.B., Han, C., Garver, E., Dawson, P.A., Interaction of macrolide antibiotics with intestinally expressed human and rat organic anion-transporting polypeptides. Drug Metab. Dispos. 37 (2009), 2375–2382.
-
(2009)
Drug Metab. Dispos.
, vol.37
, pp. 2375-2382
-
-
Lan, T.1
Rao, A.2
Haywood, J.3
Davis, C.B.4
Han, C.5
Garver, E.6
Dawson, P.A.7
-
114
-
-
84887463525
-
Induction of influx and efflux transporters and cytochrome P450 3A4 in primary human hepatocytes by rifampin, rifabutin, and rifapentine
-
[114] Williamson, B., Dooley, K.E., Zhang, Y., Back, D.J., Owen, A., Induction of influx and efflux transporters and cytochrome P450 3A4 in primary human hepatocytes by rifampin, rifabutin, and rifapentine. Antimicrob. Agents Chemother. 57 (2013), 6366–6369.
-
(2013)
Antimicrob. Agents Chemother.
, vol.57
, pp. 6366-6369
-
-
Williamson, B.1
Dooley, K.E.2
Zhang, Y.3
Back, D.J.4
Owen, A.5
-
115
-
-
77954761478
-
Differences in assessment of macrolide interaction with human MDR1 (ABCB1, P-gp) using rhodamine-123 efflux, ATPase activity and cellular accumulation assays
-
[115] Munic, V., Kelneric, Z., Mikac, L., Haber, V.E., Differences in assessment of macrolide interaction with human MDR1 (ABCB1, P-gp) using rhodamine-123 efflux, ATPase activity and cellular accumulation assays. Eur. J. Pharm. Sci. 41 (2010), 86–95.
-
(2010)
Eur. J. Pharm. Sci.
, vol.41
, pp. 86-95
-
-
Munic, V.1
Kelneric, Z.2
Mikac, L.3
Haber, V.E.4
-
116
-
-
78650456095
-
Assessment of macrolide transport using PAMPA, Caco-2 and MDCKII-hMDR1 assays
-
[116] Nozinic, D., Milic, A., Mikac, L., Ralic, J., Padovan, J., Antolovic, R., Assessment of macrolide transport using PAMPA, Caco-2 and MDCKII-hMDR1 assays. Croat. Chem. Acta 83 (2010), 323–331.
-
(2010)
Croat. Chem. Acta
, vol.83
, pp. 323-331
-
-
Nozinic, D.1
Milic, A.2
Mikac, L.3
Ralic, J.4
Padovan, J.5
Antolovic, R.6
-
117
-
-
0038725719
-
Experimental estimation of the role of P-glycoprotein in the pharmacokinetic behaviour of telithromycin, a novel ketolide, in comparison with roxithromycin and other macrolides using the Caco-2 cell model
-
[117] Pachot, J.I., Botham, R.P., Haegele, K.D., Hwang, K., Experimental estimation of the role of P-glycoprotein in the pharmacokinetic behaviour of telithromycin, a novel ketolide, in comparison with roxithromycin and other macrolides using the Caco-2 cell model. J. Pharm. Pharm. Sci. 6 (2003), 1–12.
-
(2003)
J. Pharm. Pharm. Sci.
, vol.6
, pp. 1-12
-
-
Pachot, J.I.1
Botham, R.P.2
Haegele, K.D.3
Hwang, K.4
-
118
-
-
84871278726
-
Investigating the barriers to bioavailability of macrolide antibiotics in the rat
-
[118] Padovan, J., Ralic, J., Letfus, V., Milic, A., Mihaljevic, V.B., Investigating the barriers to bioavailability of macrolide antibiotics in the rat. Eur. J. Drug Metab. Pharmacokinet. 37 (2012), 163–171.
-
(2012)
Eur. J. Drug Metab. Pharmacokinet.
, vol.37
, pp. 163-171
-
-
Padovan, J.1
Ralic, J.2
Letfus, V.3
Milic, A.4
Mihaljevic, V.B.5
-
119
-
-
34248384071
-
Effect of macrolide antibiotics on uptake of digoxin into rat liver
-
[119] Ito, S., Nasu, R., Tsujimoto, M., Murakami, H., Ohtani, H., Sawada, Y., Effect of macrolide antibiotics on uptake of digoxin into rat liver. Biopharm. Drug Dispos. 28 (2007), 113–123.
-
(2007)
Biopharm. Drug Dispos.
, vol.28
, pp. 113-123
-
-
Ito, S.1
Nasu, R.2
Tsujimoto, M.3
Murakami, H.4
Ohtani, H.5
Sawada, Y.6
-
120
-
-
35948967168
-
Roles of P-glycoprotein, Bcrp, and Mrp2 in biliary excretion of spiramycin in mice
-
[120] Tian, X., Li, J., Zamek-Gliszczynski, M.J., Bridges, A.S., Zhang, P., Patel, N.J., Raub, T.J., Pollack, G.M., Brouwer, K.L.R., Roles of P-glycoprotein, Bcrp, and Mrp2 in biliary excretion of spiramycin in mice. Antimicrob. Agents Chemother. 51 (2007), 3230–3234.
-
(2007)
Antimicrob. Agents Chemother.
, vol.51
, pp. 3230-3234
-
-
Tian, X.1
Li, J.2
Zamek-Gliszczynski, M.J.3
Bridges, A.S.4
Zhang, P.5
Patel, N.J.6
Raub, T.J.7
Pollack, G.M.8
Brouwer, K.L.R.9
-
121
-
-
77953737073
-
Prediction of human intestinal first-pass metabolism of 25 CYP3A substrates from in vitro clearance and permeability data
-
[121] Gertz, M., Harrison, A., Houston, J.B., Galetin, A., Prediction of human intestinal first-pass metabolism of 25 CYP3A substrates from in vitro clearance and permeability data. Drug Metab. Dispos. 38 (2010), 1147–1158.
-
(2010)
Drug Metab. Dispos.
, vol.38
, pp. 1147-1158
-
-
Gertz, M.1
Harrison, A.2
Houston, J.B.3
Galetin, A.4
-
122
-
-
84885956565
-
Antiviral and preclinical profiles of HCV NS5A inhibitors IDX380 and IDX719
-
[122] Bilello, J.P., Dousson, C.B., Colla, M.L., Chapron, C., Bhadresa, S., Camire, M., Serra, I., Gillum, J.M., Lallos, L.B., McCarville, J.F., Pan-Zhou, X.-R., Cohen, M.L., Standring, D.N., Antiviral and preclinical profiles of HCV NS5A inhibitors IDX380 and IDX719. 18th International Symposium on Hepatitis C Virus and Related Viruses, Seattle, 2011.
-
(2011)
18th International Symposium on Hepatitis C Virus and Related Viruses, Seattle
-
-
Bilello, J.P.1
Dousson, C.B.2
Colla, M.L.3
Chapron, C.4
Bhadresa, S.5
Camire, M.6
Serra, I.7
Gillum, J.M.8
Lallos, L.B.9
McCarville, J.F.10
Pan-Zhou, X.-R.11
Cohen, M.L.12
Standring, D.N.13
-
123
-
-
51849102959
-
Comparison of ABC transporter modulation by Atazanavir in lymphocytes and human brain endothelial cells: ABC transporters are involved in the atazanavir-limited passage across an in vitro human model of the blood–brain barrier
-
[123] Bousquet, L., Roucairol, C., Hembury, A., Nevers, M.C., Creminon, C., Farinotti, R., Mabondzo, A., Comparison of ABC transporter modulation by Atazanavir in lymphocytes and human brain endothelial cells: ABC transporters are involved in the atazanavir-limited passage across an in vitro human model of the blood–brain barrier. AIDS Res. Hum. Retrovir. 24 (2008), 1147–1154.
-
(2008)
AIDS Res. Hum. Retrovir.
, vol.24
, pp. 1147-1154
-
-
Bousquet, L.1
Roucairol, C.2
Hembury, A.3
Nevers, M.C.4
Creminon, C.5
Farinotti, R.6
Mabondzo, A.7
-
124
-
-
84876502785
-
Role of drug efflux and uptake transporters in atazanavir intestinal permeability and drug–drug interactions
-
[124] Kis, O., Zastre, J.A., Hoque, M.T., Walmsley, S.L., Bendayan, R., Role of drug efflux and uptake transporters in atazanavir intestinal permeability and drug–drug interactions. Pharm. Res. 30 (2013), 1050–1064.
-
(2013)
Pharm. Res.
, vol.30
, pp. 1050-1064
-
-
Kis, O.1
Zastre, J.A.2
Hoque, M.T.3
Walmsley, S.L.4
Bendayan, R.5
-
125
-
-
18844409566
-
Atazanavir: effects on P-glycoprotein transport and CYP3A metabolism in vitro
-
[125] Perloff, E.S., Duan, S.X., Skolnik, P.R., Greenblatt, D.J., von Moltke, L.L., Atazanavir: effects on P-glycoprotein transport and CYP3A metabolism in vitro. Drug Metab. Dispos. 33 (2005), 764–770.
-
(2005)
Drug Metab. Dispos.
, vol.33
, pp. 764-770
-
-
Perloff, E.S.1
Duan, S.X.2
Skolnik, P.R.3
Greenblatt, D.J.4
von Moltke, L.L.5
-
126
-
-
84863549415
-
Sirolimus and Everolimus intestinal absorption and interaction with calcineurin inhibitors: a differential effect between Cyclosporine and Tacrolimus
-
[126] Lamoureux, F., Picard, N., Boussera, B., Sauvage, F.-L., Marquet, P., Sirolimus and Everolimus intestinal absorption and interaction with calcineurin inhibitors: a differential effect between Cyclosporine and Tacrolimus. Fundam. Clin. Pharmacol. 26 (2012), 463–472.
-
(2012)
Fundam. Clin. Pharmacol.
, vol.26
, pp. 463-472
-
-
Lamoureux, F.1
Picard, N.2
Boussera, B.3
Sauvage, F.-L.4
Marquet, P.5
-
127
-
-
34047110137
-
Differential effects of the immunosuppressive agents cyclosporin A, tacrolimus and sirolimus on drug transport by multidrug resistance proteins
-
[127] Pawarode, A., Shukla, S., Minderman, H., Fricke, S.M., Pinder, E.M., O'Loughlin, K.L., Ambudkar, S.V., Baer, M.R., Differential effects of the immunosuppressive agents cyclosporin A, tacrolimus and sirolimus on drug transport by multidrug resistance proteins. Cancer Chemother. Pharmacol. 60 (2007), 179–188.
-
(2007)
Cancer Chemother. Pharmacol.
, vol.60
, pp. 179-188
-
-
Pawarode, A.1
Shukla, S.2
Minderman, H.3
Fricke, S.M.4
Pinder, E.M.5
O'Loughlin, K.L.6
Ambudkar, S.V.7
Baer, M.R.8
-
128
-
-
79961203098
-
Interaction of sirolimus and everolimus with hepatic and intestinal organic anion-transporting polypeptide transporters
-
[128] Picard, N., Levoir, L., Lamoureux, F., Yee, S.W., Giacomini, K.M., Marquet, P., Interaction of sirolimus and everolimus with hepatic and intestinal organic anion-transporting polypeptide transporters. Xenobiotica 41 (2011), 752–757.
-
(2011)
Xenobiotica
, vol.41
, pp. 752-757
-
-
Picard, N.1
Levoir, L.2
Lamoureux, F.3
Yee, S.W.4
Giacomini, K.M.5
Marquet, P.6
-
129
-
-
0027174992
-
Cyclosporine clinical pharmacokinatics
-
[129] Fahr, A., Cyclosporine clinical pharmacokinatics. Clin. Pharmacokinet. 24 (1993), 472–495.
-
(1993)
Clin. Pharmacokinet.
, vol.24
, pp. 472-495
-
-
Fahr, A.1
-
130
-
-
75749110945
-
SCY-635, a novel nonimmunosuppressive analog of cyclosporine that exhibits potent inhibition of hepatitis C virus RNA replication in vitro
-
[130] Hopkins, S., Scorneaux, B., Huang, Z., Murray, M.G., Wring, S., Smitley, C., Harris, R., Erdmann, F., Fischer, G., Ribeill, Y., SCY-635, a novel nonimmunosuppressive analog of cyclosporine that exhibits potent inhibition of hepatitis C virus RNA replication in vitro. Antimicrob. Agents Chemother. 54 (2010), 660–672.
-
(2010)
Antimicrob. Agents Chemother.
, vol.54
, pp. 660-672
-
-
Hopkins, S.1
Scorneaux, B.2
Huang, Z.3
Murray, M.G.4
Wring, S.5
Smitley, C.6
Harris, R.7
Erdmann, F.8
Fischer, G.9
Ribeill, Y.10
-
131
-
-
0021916733
-
Cyclosporine
-
[131] Ptachcinski, R.J., Burckart, G.J., Venkataramanan, R., Cyclosporine. Drug Intell. Clin. Pharm. 19 (1985), 90–100.
-
(1985)
Drug Intell. Clin. Pharm.
, vol.19
, pp. 90-100
-
-
Ptachcinski, R.J.1
Burckart, G.J.2
Venkataramanan, R.3
-
132
-
-
33644868785
-
Development, validation and utility of an in vitro technique for assessment of potential clinical drug-drug interactions involving P-glycoprotein
-
[132] Keogh, J.P., Kunta, J.R., Development, validation and utility of an in vitro technique for assessment of potential clinical drug-drug interactions involving P-glycoprotein. Eur. J. Pharm. Sci. 27 (2006), 543–554.
-
(2006)
Eur. J. Pharm. Sci.
, vol.27
, pp. 543-554
-
-
Keogh, J.P.1
Kunta, J.R.2
-
133
-
-
77952529779
-
Pharmacokinetic/pharmacodynamic profile of posaconazole
-
[133] Li, Y., Theuretzbacher, U., Clancy, C.J., Nguyen, M.H., Derendorf, H., Pharmacokinetic/pharmacodynamic profile of posaconazole. Clin. Pharmacokinet. 49 (2010), 379–396.
-
(2010)
Clin. Pharmacokinet.
, vol.49
, pp. 379-396
-
-
Li, Y.1
Theuretzbacher, U.2
Clancy, C.J.3
Nguyen, M.H.4
Derendorf, H.5
-
134
-
-
40949123806
-
New taxanes in development
-
[134] Ferlini, C., Gallo, D., Scambia, G., New taxanes in development. Expert Opin. Investig. Drugs 17 (2008), 335–347.
-
(2008)
Expert Opin. Investig. Drugs
, vol.17
, pp. 335-347
-
-
Ferlini, C.1
Gallo, D.2
Scambia, G.3
-
135
-
-
84891491534
-
The synthesis of novel taxoids for oral administration
-
[135] Jing, Y.-r., Zhou, W., Li, W.-l., Zhao, L.-x., Wang, Y.-f., The synthesis of novel taxoids for oral administration. Bioorg. Med. Chem. 22 (2014), 194–203.
-
(2014)
Bioorg. Med. Chem.
, vol.22
, pp. 194-203
-
-
Jing, Y.-R.1
Zhou, W.2
Li, W.-L.3
Zhao, L.-X.4
Wang, Y.-F.5
-
136
-
-
0001583660
-
Coadministration of oral cyclosporin A enables oral therapy with paclitaxel
-
[136] Terwogt, J.M.M., Malingre, M.M., Beijnen, J.H., Huinink, W.W.T., Rosing, H., Koopman, F.J., van Tellingen, O., Swart, M., Schellens, J.H.M., Coadministration of oral cyclosporin A enables oral therapy with paclitaxel. Clin. Cancer Res. 5 (1999), 3379–3384.
-
(1999)
Clin. Cancer Res.
, vol.5
, pp. 3379-3384
-
-
Terwogt, J.M.M.1
Malingre, M.M.2
Beijnen, J.H.3
Huinink, W.W.T.4
Rosing, H.5
Koopman, F.J.6
van Tellingen, O.7
Swart, M.8
Schellens, J.H.M.9
-
137
-
-
0029997940
-
Transport and epithelial secretion of the cardiac glycoside, digoxin, by human intestinal epithelial (Caco-2) cells
-
[137] Cavet, M.E., West, M., Simmons, N.L., Transport and epithelial secretion of the cardiac glycoside, digoxin, by human intestinal epithelial (Caco-2) cells. Br. J. Pharmacol. 118 (1996), 1389–1396.
-
(1996)
Br. J. Pharmacol.
, vol.118
, pp. 1389-1396
-
-
Cavet, M.E.1
West, M.2
Simmons, N.L.3
-
138
-
-
0034763005
-
Rational use of in vitro P-glycoprotein assays in drug discovery
-
[138] Polli, J.W., Wring, S.A., Humphreys, J.E., Huang, L.Y., Morgan, J.B., Webster, L.O., Serabjit-Singh, C.S., Rational use of in vitro P-glycoprotein assays in drug discovery. J. Pharmacol. Exp. Ther. 299 (2001), 620–628.
-
(2001)
J. Pharmacol. Exp. Ther.
, vol.299
, pp. 620-628
-
-
Polli, J.W.1
Wring, S.A.2
Humphreys, J.E.3
Huang, L.Y.4
Morgan, J.B.5
Webster, L.O.6
Serabjit-Singh, C.S.7
-
139
-
-
15744362693
-
Molecular determinants of substrate/inhibitor binding to the human and rabbit renal organic cation transporters hOCT2 and rbOCT2
-
[139] Suhre, W.M., Ekins, S., Chang, C., Swaan, P.W., Wright, S.H., Molecular determinants of substrate/inhibitor binding to the human and rabbit renal organic cation transporters hOCT2 and rbOCT2. Mol. Pharmacol. 67 (2005), 1067–1077.
-
(2005)
Mol. Pharmacol.
, vol.67
, pp. 1067-1077
-
-
Suhre, W.M.1
Ekins, S.2
Chang, C.3
Swaan, P.W.4
Wright, S.H.5
-
140
-
-
22944440991
-
Comparative pharmacophore modeling of organic anion transporting polypeptides: a meta-analysis of rat Oatp1a1 and human OATP1B1
-
[140] Chang, C., Pang, K.S., Swaan, P.W., Ekins, S., Comparative pharmacophore modeling of organic anion transporting polypeptides: a meta-analysis of rat Oatp1a1 and human OATP1B1. J. Pharmacol. Exp. Ther. 314 (2005), 533–541.
-
(2005)
J. Pharmacol. Exp. Ther.
, vol.314
, pp. 533-541
-
-
Chang, C.1
Pang, K.S.2
Swaan, P.W.3
Ekins, S.4
-
141
-
-
84937628052
-
Prediction of drug-ABC-transporter interaction — recent advances and future challenges
-
[141] Montanari, F., Ecker, G.F., Prediction of drug-ABC-transporter interaction — recent advances and future challenges. Adv. Drug Deliv. Rev. 86 (2015), 17–26.
-
(2015)
Adv. Drug Deliv. Rev.
, vol.86
, pp. 17-26
-
-
Montanari, F.1
Ecker, G.F.2
-
142
-
-
18344364851
-
Application of three-dimensional quantitative structure–activity relationships of P-glycoprotein inhibitors and substrates
-
[142] Ekins, S., Kim, R.B., Leake, B.F., Dantzig, A.H., Schuetz, E.G., Lan, L.B., Yasuda, K., Shepard, R.L., Winter, M.A., Schuetz, J.D., Wikel, J.H., Wrighton, S.A., Application of three-dimensional quantitative structure–activity relationships of P-glycoprotein inhibitors and substrates. Mol. Pharm. 61 (2002), 974–981.
-
(2002)
Mol. Pharm.
, vol.61
, pp. 974-981
-
-
Ekins, S.1
Kim, R.B.2
Leake, B.F.3
Dantzig, A.H.4
Schuetz, E.G.5
Lan, L.B.6
Yasuda, K.7
Shepard, R.L.8
Winter, M.A.9
Schuetz, J.D.10
Wikel, J.H.11
Wrighton, S.A.12
-
143
-
-
0000887546
-
Essential features of the P-glycoprotein pharmacophore as defined by a series of reserpine analogues that modulate multidrug resistance
-
[143] Pearce, H.L., Safa, A.R., Bach, N.J., Winter, M.A., Cirtain, M.C., Beck, W.T., Essential features of the P-glycoprotein pharmacophore as defined by a series of reserpine analogues that modulate multidrug resistance. Proc. Natl. Acad. Sci. U. S. A. 86 (1989), 5128–5132.
-
(1989)
Proc. Natl. Acad. Sci. U. S. A.
, vol.86
, pp. 5128-5132
-
-
Pearce, H.L.1
Safa, A.R.2
Bach, N.J.3
Winter, M.A.4
Cirtain, M.C.5
Beck, W.T.6
-
144
-
-
84876160043
-
Predicting substrates of the human breast cancer resistance protein using a support vector machine method
-
[144] Hazai, E., Hazai, I., Ragueneau-Majlessi, I., Chung, S.P., Bikadi, Z., Mao, Q., Predicting substrates of the human breast cancer resistance protein using a support vector machine method. BMC Bioinf., 14, 2013.
-
(2013)
BMC Bioinf.
, vol.14
-
-
Hazai, E.1
Hazai, I.2
Ragueneau-Majlessi, I.3
Chung, S.P.4
Bikadi, Z.5
Mao, Q.6
-
145
-
-
84865255512
-
An in silico classification model for putative ABCC2 substrates
-
[145] Pinto, M., Trauner, M., Ecker, G.F., An in silico classification model for putative ABCC2 substrates. Mol. Inf. 31 (2012), 547–553.
-
(2012)
Mol. Inf.
, vol.31
, pp. 547-553
-
-
Pinto, M.1
Trauner, M.2
Ecker, G.F.3
-
146
-
-
84862203273
-
Insights on P-glycoprotein's efflux mechanism obtained by molecular dynamics simulations
-
[146] Ferreira, R.J., Ferreira, M.-J.U., dos Santos, D.J.V.A., Insights on P-glycoprotein's efflux mechanism obtained by molecular dynamics simulations. J. Chem. Theory Comput. 8 (2012), 1853–1864.
-
(2012)
J. Chem. Theory Comput.
, vol.8
, pp. 1853-1864
-
-
Ferreira, R.J.1
Ferreira, M.-J.U.2
dos Santos, D.J.V.A.3
-
147
-
-
34547663158
-
Identifying P-glycoprotein substrates using a support vector machine optimized by a particle swarm
-
[147] Huang, J., Ma, G., Muhammad, I., Cheng, Y., Identifying P-glycoprotein substrates using a support vector machine optimized by a particle swarm. J. Chem. Inf. Model. 47 (2007), 1638–1647.
-
(2007)
J. Chem. Inf. Model.
, vol.47
, pp. 1638-1647
-
-
Huang, J.1
Ma, G.2
Muhammad, I.3
Cheng, Y.4
-
148
-
-
79952272763
-
Probing the stereoselectivity of P-glycoprotein-synthesis, biological activity and ligand docking studies of a set of enantiopure benzopyrano[3,4-b][1,4]oxazines
-
[148] Jabeen, I., Wetwitayaklung, P., Klepsch, F., Parveen, Z., Chiba, P., Ecker, G.F., Probing the stereoselectivity of P-glycoprotein-synthesis, biological activity and ligand docking studies of a set of enantiopure benzopyrano[3,4-b][1,4]oxazines. Chem. Commun. 47 (2011), 2586–2588.
-
(2011)
Chem. Commun.
, vol.47
, pp. 2586-2588
-
-
Jabeen, I.1
Wetwitayaklung, P.2
Klepsch, F.3
Parveen, Z.4
Chiba, P.5
Ecker, G.F.6
-
149
-
-
0033404139
-
Multiple recognition of various amphiphilic molecules by the multidrug resistance P-glycoprotein: molecular mechanisms and pharmacological consequences coming from functional interactions between various drugs
-
[149] Orlowski, S., Garrigos, M., Multiple recognition of various amphiphilic molecules by the multidrug resistance P-glycoprotein: molecular mechanisms and pharmacological consequences coming from functional interactions between various drugs. Anticancer Res. 19 (1999), 3109–3123.
-
(1999)
Anticancer Res.
, vol.19
, pp. 3109-3123
-
-
Orlowski, S.1
Garrigos, M.2
-
150
-
-
2342533129
-
Structure-function relationships of multidrug resistance P-glycoprotein
-
[150] Pajeva, I.K., Globisch, C., Wiese, M., Structure-function relationships of multidrug resistance P-glycoprotein. J. Med. Chem. 47 (2004), 2523–2533.
-
(2004)
J. Med. Chem.
, vol.47
, pp. 2523-2533
-
-
Pajeva, I.K.1
Globisch, C.2
Wiese, M.3
-
151
-
-
84866259721
-
Fingerprint-based in silico models for the prediction of P-glycoprotein substrates and inhibitors
-
[151] Poongavanam, V., Haider, N., Ecker, G.F., Fingerprint-based in silico models for the prediction of P-glycoprotein substrates and inhibitors. Bioorg. Med. Chem. 20 (2012), 5388–5395.
-
(2012)
Bioorg. Med. Chem.
, vol.20
, pp. 5388-5395
-
-
Poongavanam, V.1
Haider, N.2
Ecker, G.F.3
-
152
-
-
79959742759
-
P-glycoprotein substrate models using support vector machines based on a comprehensive data set
-
[152] Wang, Z., Chen, Y., Liang, H., Bender, A., Glen, R.C., Yan, A., P-glycoprotein substrate models using support vector machines based on a comprehensive data set. J. Chem. Inf. Model. 51 (2011), 1447–1456.
-
(2011)
J. Chem. Inf. Model.
, vol.51
, pp. 1447-1456
-
-
Wang, Z.1
Chen, Y.2
Liang, H.3
Bender, A.4
Glen, R.C.5
Yan, A.6
-
153
-
-
4043091303
-
Prediction of P-glycoprotein substrates by a support vector machine approach
-
[153] Xue, Y., Yap, C.W., Sun, L.Z., Cao, Z.W., Wang, J.F., Chen, Y.Z., Prediction of P-glycoprotein substrates by a support vector machine approach. J. Chem. Inf. Comput. Sci. 44 (2004), 1497–1505.
-
(2004)
J. Chem. Inf. Comput. Sci.
, vol.44
, pp. 1497-1505
-
-
Xue, Y.1
Yap, C.W.2
Sun, L.Z.3
Cao, Z.W.4
Wang, J.F.5
Chen, Y.Z.6
-
154
-
-
0036893219
-
Characterization of two pharmacophores on the multidrug transporter P-glycoprotein
-
[154] Garrigues, A., Loiseau, N., Delaforge, M., Ferte, J., Garrigos, M., Andre, F., Orlowski, S., Characterization of two pharmacophores on the multidrug transporter P-glycoprotein. Mol. Pharm. 62 (2002), 1288–1298.
-
(2002)
Mol. Pharm.
, vol.62
, pp. 1288-1298
-
-
Garrigues, A.1
Loiseau, N.2
Delaforge, M.3
Ferte, J.4
Garrigos, M.5
Andre, F.6
Orlowski, S.7
-
155
-
-
33644692007
-
P-glycoprotein recognition of substrates and circumvention through rational drug design
-
[155] Raub, T.J., P-glycoprotein recognition of substrates and circumvention through rational drug design. Mol. Pharm. 3 (2006), 3–25.
-
(2006)
Mol. Pharm.
, vol.3
, pp. 3-25
-
-
Raub, T.J.1
-
156
-
-
0032518454
-
A general pattern for substrate recognition by P-glycoprotein
-
[156] Seelig, A., A general pattern for substrate recognition by P-glycoprotein. Eur. J. Biochem. 251 (1998), 252–261.
-
(1998)
Eur. J. Biochem.
, vol.251
, pp. 252-261
-
-
Seelig, A.1
-
157
-
-
0031962285
-
How does P-glycoprotein recognize its substrates?
-
[157] Seelig, A., How does P-glycoprotein recognize its substrates?. Int. J. Clin. Pharmacol. Ther. 36 (1998), 50–54.
-
(1998)
Int. J. Clin. Pharmacol. Ther.
, vol.36
, pp. 50-54
-
-
Seelig, A.1
-
158
-
-
84901740666
-
ADMET evaluation in drug discovery. 13. Development of in silico prediction models for P-glycoprotein substrates
-
[158] Li, D., Chen, L., Li, Y., Tian, S., Sun, H., Hou, T., ADMET evaluation in drug discovery. 13. Development of in silico prediction models for P-glycoprotein substrates. Mol. Pharm. 11 (2014), 716–726.
-
(2014)
Mol. Pharm.
, vol.11
, pp. 716-726
-
-
Li, D.1
Chen, L.2
Li, Y.3
Tian, S.4
Sun, H.5
Hou, T.6
-
159
-
-
0037137614
-
Pharmacophore model of drugs involved in P-glycoprotein multidrug resistance: explanation of structural variety (hypothesis)
-
[159] Pajeva, I.K., Wiese, M., Pharmacophore model of drugs involved in P-glycoprotein multidrug resistance: explanation of structural variety (hypothesis). J. Med. Chem. 45 (2002), 5671–5686.
-
(2002)
J. Med. Chem.
, vol.45
, pp. 5671-5686
-
-
Pajeva, I.K.1
Wiese, M.2
-
160
-
-
12344274316
-
Exploring the role of different drug transport routes in permeability screening
-
[160] Matsson, P., Bergstrom, C.A., Nagahara, N., Tavelin, S., Norinder, U., Artursson, P., Exploring the role of different drug transport routes in permeability screening. J. Med. Chem. 48 (2005), 604–613.
-
(2005)
J. Med. Chem.
, vol.48
, pp. 604-613
-
-
Matsson, P.1
Bergstrom, C.A.2
Nagahara, N.3
Tavelin, S.4
Norinder, U.5
Artursson, P.6
-
161
-
-
15744397589
-
Mechanism of multidrug resistance in relation to passive membrane permeation
-
[161] Eytan, G.D., Mechanism of multidrug resistance in relation to passive membrane permeation. Biomed. Pharmacother. 59 (2005), 90–97.
-
(2005)
Biomed. Pharmacother.
, vol.59
, pp. 90-97
-
-
Eytan, G.D.1
-
162
-
-
33846116128
-
Kinetic considerations for the quantitative assessment of efflux activity and inhibition: implications for understanding and predicting the effects of efflux inhibition
-
[162] Kalvass, J.C., Pollack, G.M., Kinetic considerations for the quantitative assessment of efflux activity and inhibition: implications for understanding and predicting the effects of efflux inhibition. Pharm. Res. 24 (2007), 265–276.
-
(2007)
Pharm. Res.
, vol.24
, pp. 265-276
-
-
Kalvass, J.C.1
Pollack, G.M.2
-
163
-
-
84867577372
-
How hydrogen bonds impact P-glycoprotein transport and permeability
-
[163] Desai, P.V., Raub, T.J., Blanco, M.-J., How hydrogen bonds impact P-glycoprotein transport and permeability. Bioorg. Med. Chem. Lett. 22 (2012), 6540–6548.
-
(2012)
Bioorg. Med. Chem. Lett.
, vol.22
, pp. 6540-6548
-
-
Desai, P.V.1
Raub, T.J.2
Blanco, M.-J.3
-
164
-
-
33744902318
-
Interaction of transported drugs with the lipid bilayer and P-glycoprotein through a solvation exchange mechanism
-
[164] Omote, H., Al-Shawi, M.K., Interaction of transported drugs with the lipid bilayer and P-glycoprotein through a solvation exchange mechanism. Biophys. J. 90 (2006), 4046–4059.
-
(2006)
Biophys. J.
, vol.90
, pp. 4046-4059
-
-
Omote, H.1
Al-Shawi, M.K.2
-
165
-
-
0035324944
-
Molecular complexity and its impact on the probability of finding leads for drug discovery
-
[165] Hann, M.M., Leach, A.R., Harper, G., Molecular complexity and its impact on the probability of finding leads for drug discovery. J. Chem. Inf. Model. 41 (2001), 856–864.
-
(2001)
J. Chem. Inf. Model.
, vol.41
, pp. 856-864
-
-
Hann, M.M.1
Leach, A.R.2
Harper, G.3
-
166
-
-
32344446028
-
Can we rationally design promiscuous drugs?
-
[166] Hopkins, A.L., Mason, J.S., Overington, J.P., Can we rationally design promiscuous drugs?. Curr. Opin. Struct. Biol. 16 (2006), 127–136.
-
(2006)
Curr. Opin. Struct. Biol.
, vol.16
, pp. 127-136
-
-
Hopkins, A.L.1
Mason, J.S.2
Overington, J.P.3
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