-
1
-
-
28844448182
-
Oncogenic PI3K deregulates transcription and translation
-
Bader, A. G.; Kang, S.; Zhao, L.; Vogt, P. K. Oncogenic PI3K deregulates transcription and translation Nat. Rev. Cancer 2005, 5, 921-929
-
(2005)
Nat. Rev. Cancer
, vol.5
, pp. 921-929
-
-
Bader, A.G.1
Kang, S.2
Zhao, L.3
Vogt, P.K.4
-
2
-
-
0000440912
-
Transformation of chicken cells by the gene encoding the catalytic subunit of PI 3-Kinase
-
Chang, H. W.; Aoki, M.; Fruman, D.; Auger, K. R.; Bellacosa, A.; Tsichlis, P. N.; Cantley, L. C.; Roberts, T. M.; Vogt, P. K. Transformation of chicken cells by the gene encoding the catalytic subunit of PI 3-Kinase Science 1997, 276, 1848-1850
-
(1997)
Science
, vol.276
, pp. 1848-1850
-
-
Chang, H.W.1
Aoki, M.2
Fruman, D.3
Auger, K.R.4
Bellacosa, A.5
Tsichlis, P.N.6
Cantley, L.C.7
Roberts, T.M.8
Vogt, P.K.9
-
3
-
-
0035190026
-
Cellular function of phosphoinositide 3-kinases: Implications for development, homeostasis and cancer
-
Katso, R.; Okkenhaug, K.; Ahmadi, K.; White, S.; Timm, J.; Waterfield, M. D. Cellular function of phosphoinositide 3-kinases: Implications for development, homeostasis and cancer Annu. Rev. Cell. Dev. Biol. 2001, 17, 615-675
-
(2001)
Annu. Rev. Cell. Dev. Biol.
, vol.17
, pp. 615-675
-
-
Katso, R.1
Okkenhaug, K.2
Ahmadi, K.3
White, S.4
Timm, J.5
Waterfield, M.D.6
-
4
-
-
0033604577
-
Signaling by distinct classes of phosphoinositide 3-kinases
-
Vanhaesebroeck, B.; Waterfield, M. D. Signaling by distinct classes of phosphoinositide 3-kinases Exp. Cell Res. 1999, 253, 239-254
-
(1999)
Exp. Cell Res.
, vol.253
, pp. 239-254
-
-
Vanhaesebroeck, B.1
Waterfield, M.D.2
-
5
-
-
37249056471
-
The structure of a human p110α/p85α complex elucidates the effects of oncogenic PI3Kα mutations
-
Huang, C. H.; Mandelker, D.; Schmidt-Kittler, O.; Samuels, Y.; Velculescu, V. E.; Kinzler, K. W.; Vogelstein, B.; Gabelli, S. B.; Amzel, L. M. The structure of a human p110α/p85α complex elucidates the effects of oncogenic PI3Kα mutations Science 2007, 318, 1744-1748
-
(2007)
Science
, vol.318
, pp. 1744-1748
-
-
Huang, C.H.1
Mandelker, D.2
Schmidt-Kittler, O.3
Samuels, Y.4
Velculescu, V.E.5
Kinzler, K.W.6
Vogelstein, B.7
Gabelli, S.B.8
Amzel, L.M.9
-
6
-
-
59049089201
-
PI3KCA/PTEN deregulation contributes to impaired responses to cetuximab in metastatic colorectal cancer patients
-
Perrone, F.; Lampis, A.; Orsenigo, M.; Di Bartolomeo, M.; Gevorgyan, A.; Losa, M.; Frattini, M.; Riva, C.; Andreola, S.; Bajetta, E.; Bertario, L.; Leo, E.; Pierotti, M. A.; Pilotti, S. PI3KCA/PTEN deregulation contributes to impaired responses to cetuximab in metastatic colorectal cancer patients Ann. Oncol. 2009, 20, 84-90
-
(2009)
Ann. Oncol.
, vol.20
, pp. 84-90
-
-
Perrone, F.1
Lampis, A.2
Orsenigo, M.3
Di Bartolomeo, M.4
Gevorgyan, A.5
Losa, M.6
Frattini, M.7
Riva, C.8
Andreola, S.9
Bajetta, E.10
Bertario, L.11
Leo, E.12
Pierotti, M.A.13
Pilotti, S.14
-
7
-
-
0141960451
-
Resistance to gefitinib (ZD1839, Iressa) in PTEN null HER overexpressing tumor cells can be overcome through restoration of PTEN function or pharmacologic modulation of constitutive PI3K/Akt pathway signaling
-
She, Q. B.; Solit, D.; Basso, A.; Moasser, M. M. Resistance to gefitinib (ZD1839, Iressa) in PTEN null HER overexpressing tumor cells can be overcome through restoration of PTEN function or pharmacologic modulation of constitutive PI3K/Akt pathway signaling Clin. Cancer Res. 2003, 9, 4340-4346
-
(2003)
Clin. Cancer Res.
, vol.9
, pp. 4340-4346
-
-
She, Q.B.1
Solit, D.2
Basso, A.3
Moasser, M.M.4
-
8
-
-
11144358645
-
High frequency of mutations of the PIK3CA gene in human cancers
-
Samuels, Y.; Wang, Z.; Bardelli, A.; Silliman, N.; Ptak, J.; Szabo, S.; Yan, H.; Gazdar, A.; Powell, S. M.; Riggins, G. J.; Willson, J. K.; Markowitz, S.; Kinzler, K. W.; Kinzler, K. W.; Vogelstein, B.; Velculescu, V. E. High frequency of mutations of the PIK3CA gene in human cancers Science 2004, 304, 554-554
-
(2004)
Science
, vol.304
, pp. 554-554
-
-
Samuels, Y.1
Wang, Z.2
Bardelli, A.3
Silliman, N.4
Ptak, J.5
Szabo, S.6
Yan, H.7
Gazdar, A.8
Powell, S.M.9
Riggins, G.J.10
Willson, J.K.11
Markowitz, S.12
Kinzler, K.W.13
Kinzler, K.W.14
Vogelstein, B.15
Velculescu, V.E.16
-
9
-
-
68249093818
-
Targeting the phosphoinositide 3-kinase pathway in cancer
-
Liu, I.; Cheng, H.; Roberts, T. M.; Zhao, J. J. Targeting the phosphoinositide 3-kinase pathway in cancer Nat. Rev. Drug Discovery 2009, 8, 627-644
-
(2009)
Nat. Rev. Drug Discovery
, vol.8
, pp. 627-644
-
-
Liu, I.1
Cheng, H.2
Roberts, T.M.3
Zhao, J.J.4
-
10
-
-
38749092231
-
Effects of oncogenic p110α subunit mutations on the lipid kinase activity of phosphoinositide 3-kinase
-
Carson, J. D.; Aller, G. V.; Lehr, R.; Sinnamon, R. H.; Kirkpartick, R. B.; Auger, K. R.; Dhanak, D.; Copeland, R. A.; Gontarek, R. R.; Tummino, P. J.; Luo, L. Effects of oncogenic p110α subunit mutations on the lipid kinase activity of phosphoinositide 3-kinase Biochem. J. 2008, 409, 519-524
-
(2008)
Biochem. J.
, vol.409
, pp. 519-524
-
-
Carson, J.D.1
Aller, G.V.2
Lehr, R.3
Sinnamon, R.H.4
Kirkpartick, R.B.5
Auger, K.R.6
Dhanak, D.7
Copeland, R.A.8
Gontarek, R.R.9
Tummino, P.J.10
Luo, L.11
-
11
-
-
41649109390
-
Synthesis and structure-activity relationships of ring-opened 17 hydroxywortmannins: Potent phosphinositide 3-kinase inhibitors with improved properties and anticancer efficacy
-
Zask, A.; Kaplan, J.; Toral-Barza, L.; Hollander, I.; Young, M.; Tischler, M.; Gaydos, C.; Cinque, M.; Lucas, J.; Yu, K. Synthesis and structure-activity relationships of ring-opened 17 hydroxywortmannins: Potent phosphinositide 3-kinase inhibitors with improved properties and anticancer efficacy J. Med. Chem. 2008, 51, 1319-1323
-
(2008)
J. Med. Chem.
, vol.51
, pp. 1319-1323
-
-
Zask, A.1
Kaplan, J.2
Toral-Barza, L.3
Hollander, I.4
Young, M.5
Tischler, M.6
Gaydos, C.7
Cinque, M.8
Lucas, J.9
Yu, K.10
-
12
-
-
33748096426
-
Synthesis and biological evaluation of 4-morpholino-2-phenylquinazolines and related derivatives as novel PI3 kinase p110α inhibitors
-
Hayakawa, M.; Kaizawa, H.; Moritomo, H.; Koizumi, T.; Ohishi, T.; Okada, M.; Ohta, M.; Tsukamoto, S.; Parker, P.; Workman, P.; Waterfield, M. Synthesis and biological evaluation of 4-morpholino-2-phenylquinazolines and related derivatives as novel PI3 kinase p110α inhibitors Bioorg. Med. Chem. 2006, 14, 6847-6858
-
(2006)
Bioorg. Med. Chem.
, vol.14
, pp. 6847-6858
-
-
Hayakawa, M.1
Kaizawa, H.2
Moritomo, H.3
Koizumi, T.4
Ohishi, T.5
Okada, M.6
Ohta, M.7
Tsukamoto, S.8
Parker, P.9
Workman, P.10
Waterfield, M.11
-
13
-
-
50149115138
-
Structural analysis of PI3-kinase isoforms: Identification of residues enabling selective inhibition by small molecule ATP-competitive inhibitors
-
Zvelebil, M. J.; Waterfield, M. D.; Shuttleworth, S. J. Structural analysis of PI3-kinase isoforms: Identification of residues enabling selective inhibition by small molecule ATP-competitive inhibitors Arch. Biochem. Biophys. 2008, 477, 404-410
-
(2008)
Arch. Biochem. Biophys.
, vol.477
, pp. 404-410
-
-
Zvelebil, M.J.1
Waterfield, M.D.2
Shuttleworth, S.J.3
-
14
-
-
51049109033
-
Identification and characterization of NVP-BEZ235, a new orally available dual phosphatidylinositol 3-kinase/mammalian target of rapamycin inhibitor with potent in vivo antitumor activity
-
Maira, S. M.; Stauffer, F.; Brueggen, J.; Furet, P.; Schnell, C.; Fritsch, C.; Brachmann, S.; Chène, P.; De Pover, A.; Schoemaker, K.; Fabbro, D.; Gabriel, D.; Simonen, M.; Murphy, L.; Finan, P.; Sellers, W.; García-Echeverría, C. Identification and characterization of NVP-BEZ235, a new orally available dual phosphatidylinositol 3-kinase/mammalian target of rapamycin inhibitor with potent in vivo antitumor activity Mol. Cancer Ther. 2008, 7, 1851-1863
-
(2008)
Mol. Cancer Ther.
, vol.7
, pp. 1851-1863
-
-
Maira, S.M.1
Stauffer, F.2
Brueggen, J.3
Furet, P.4
Schnell, C.5
Fritsch, C.6
Brachmann, S.7
Chène, P.8
De Pover, A.9
Schoemaker, K.10
Fabbro, D.11
Gabriel, D.12
Simonen, M.13
Murphy, L.14
Finan, P.15
Sellers, W.16
García-Echeverría, C.17
-
15
-
-
31444457132
-
Liphagal, a selective inhibitor of PI3 kinase α isolated from the sponge Aka coralliphaga: Structure elucidation and biomimetic synthesis
-
Marion, F.; Williams, D. E.; Patrick, B. O.; Hollander, I.; Mallon, R.; Kim, S. C.; Roll, D. M.; Feldberg, L.; Soest, R. V.; Andersen, R. J. Liphagal, a selective inhibitor of PI3 kinase α isolated from the sponge Aka coralliphaga: Structure elucidation and biomimetic synthesis Org. Lett. 2006, 8, 321-324
-
(2006)
Org. Lett.
, vol.8
, pp. 321-324
-
-
Marion, F.1
Williams, D.E.2
Patrick, B.O.3
Hollander, I.4
Mallon, R.5
Kim, S.C.6
Roll, D.M.7
Feldberg, L.8
Soest, R.V.9
Andersen, R.J.10
-
16
-
-
77749264641
-
-Exelixis and Nektar Therapeutics
-
-Exelixis and Nektar Therapeutics IDrugs 2010, 13 (3) 139-141
-
(2010)
IDrugs
, vol.13
, Issue.3
, pp. 139-141
-
-
Gale, S.1
Croasdell, G.2
-
17
-
-
70349396462
-
Phase i dose-escalation study of the safety, pharmacokinetics and pharmacodynamics of XL-765, a novel inhibitor of PI3K and mTOR, administered orally to patients with solid tumors
-
Markman, B.; LuRusso, P. M.; Patnaik, A.; Heath, E.; Laird, A. D.; van Leeuwen, B.; Papadopoulos, K. P.; Baselga, J. A phase I dose-escalation study of the safety, pharmacokinetics and pharmacodynamics of XL-765, a novel inhibitor of PI3K and mTOR, administered orally to patients with solid tumors Eur. J. Cancer Suppl. 2008, 6 (12) 68-69
-
(2008)
Eur. J. Cancer Suppl.
, vol.6
, Issue.12
, pp. 68-69
-
-
Markman, B.1
Lurusso, P.M.2
Patnaik, A.3
Heath, E.4
Laird, A.D.5
Van Leeuwen, B.6
Papadopoulos, K.P.7
Baselga, J.A.8
-
18
-
-
34447254744
-
Synthesis and biological evaluation of sulfonylhydrazone-substituted imidazo[1,2-a]pyridines as novel PI3 kinase p110α inhibitors
-
DOI 10.1016/j.bmc.2007.05.070, PII S0968089607005056
-
Hayakawa, M.; Kawaguchi, K.; Kaizawa, H.; Koizumi, T.; Ohishi, T.; Yamano, M.; Okada, M.; Ohata, M.; Tsukamoto, S.; Reynaud, F.; Parker, P.; Workman, P.; Waterfield, M. Synthesis and biological evaluation of sulfonylhydrazone-substituted imidazole[1,2-a]pyridines as novel PI3 kinase p110α inhibitors Bioorg. Med. Chem. 2007, 15, 5837-5844 (Pubitemid 47043472)
-
(2007)
Bioorganic and Medicinal Chemistry
, vol.15
, Issue.17
, pp. 5837-5844
-
-
Hayakawa, M.1
Kawaguchi, K.-i.2
Kaizawa, H.3
Koizumi, T.4
Ohishi, T.5
Yamano, M.6
Okada, M.7
Ohta, M.8
Tsukamoto, S.-i.9
Raynaud, F.I.10
Parker, P.11
Workman, P.12
Waterfield, M.D.13
-
19
-
-
35348879896
-
Synthesis, biological evaluation and molecular modelling of sulfonohydrazides as selective PI3K p110α inhibitors
-
Kendall, J. D.; Rewcastle, G. W.; Frederick, R.; Mawson, C.; Denny, W. A.; Marshall, E. S.; Baguley, B. C.; Chaussade, C.; Jackson, S. P.; Shepherd, P. R. Synthesis, biological evaluation and molecular modelling of sulfonohydrazides as selective PI3K p110α inhibitors Bioorg. Med. Chem. 2007, 15, 7677-7687
-
(2007)
Bioorg. Med. Chem.
, vol.15
, pp. 7677-7687
-
-
Kendall, J.D.1
Rewcastle, G.W.2
Frederick, R.3
Mawson, C.4
Denny, W.A.5
Marshall, E.S.6
Baguley, B.C.7
Chaussade, C.8
Jackson, S.P.9
Shepherd, P.R.10
-
20
-
-
42149156181
-
Phosphoinositide-3-kinases (PI3Ks): Combined comparative modeling and 3D-QSAR to rationalize the inhibition of p110α
-
Frédérick, R.; Denny, W. A. Phosphoinositide-3-kinases (PI3Ks): Combined comparative modeling and 3D-QSAR to rationalize the inhibition of p110α J. Chem. Inf. Model. 2008, 48, 629-638
-
(2008)
J. Chem. Inf. Model.
, vol.48
, pp. 629-638
-
-
Frédérick, R.1
Denny, W.A.2
-
21
-
-
77955313539
-
Pharmacophore modeling and 3D-QSAR analysis of phosphoinositide 3-kinase p110α inhibitors
-
Li, Y.; Wang, Y.; Zhang, F. Pharmacophore modeling and 3D-QSAR analysis of phosphoinositide 3-kinase p110α inhibitors J. Mol. Model 2010, 9, 1449-1460
-
(2010)
J. Mol. Model
, vol.9
, pp. 1449-1460
-
-
Li, Y.1
Wang, Y.2
Zhang, F.3
-
22
-
-
69049087738
-
ATP-competitive inhibitors of the mammalian target of rapamycin: Design and synthesis of highly potent and selective pyrazolopyrimidines
-
Zask, A.; Verheijen, J. C.; Curran, K.; Kaplan, J.; Richard, D. J.; Nowak, P.; Malwitz, D. J.; Brooijmans, N.; Bard, J.; Svenson, K.; Lucas, J.; Toral-Barza, L.; Zhang, W. G.; Hollander, I.; Gibbons, J. J.; Abraham, R. T.; Ayral-Kaloustian, S.; Mansour, T. S.; Yu, K. ATP-competitive inhibitors of the mammalian target of rapamycin: Design and synthesis of highly potent and selective pyrazolopyrimidines J. Med. Chem. 2009, 52, 5013-5016
-
(2009)
J. Med. Chem.
, vol.52
, pp. 5013-5016
-
-
Zask, A.1
Verheijen, J.C.2
Curran, K.3
Kaplan, J.4
Richard, D.J.5
Nowak, P.6
Malwitz, D.J.7
Brooijmans, N.8
Bard, J.9
Svenson, K.10
Lucas, J.11
Toral-Barza, L.12
Zhang, W.G.13
Hollander, I.14
Gibbons, J.J.15
Abraham, R.T.16
Ayral-Kaloustian, S.17
Mansour, T.S.18
Yu, K.19
-
23
-
-
70350126139
-
A frequent kinase domain mutation that changes the interaction between PI3K α and the membrane
-
Mandelker, D.; Gabelli, S.; Schmidt-kittler, O.; Zhu, J.; Cheong, I.; Huang, C. H.; Kinzler, K.; Vogelstein, B.; Amzel, M. A frequent kinase domain mutation that changes the interaction between PI3K α and the membrane Proc. Natl. Acad. Sci. U.S.A. 2009, 106, 16996-17001
-
(2009)
Proc. Natl. Acad. Sci. U.S.A.
, vol.106
, pp. 16996-17001
-
-
Mandelker, D.1
Gabelli, S.2
Schmidt-Kittler, O.3
Zhu, J.4
Cheong, I.5
Huang, C.H.6
Kinzler, K.7
Vogelstein, B.8
Amzel, M.9
-
24
-
-
0033824470
-
DaliLite workbench for protein structure comparison
-
available online at (accessed Jan 28, 2010)
-
Holm, L.; Park, J. DaliLite workbench for protein structure comparison Bioinformatics 2000, 16, 566-567 available online at http://www.ebi.ac.uk/Tools/ dalilite/ index.html (accessed Jan 28, 2010)
-
(2000)
Bioinformatics
, vol.16
, pp. 566-567
-
-
Holm, L.1
Park, J.2
-
25
-
-
0033634827
-
Structural determinations of phosphoinositide 3-kinase inhibition by wortmannin, LY294002, quercetin, myricetin and staurosporine
-
Walker, E. H.; Pacold, M. E.; Perisic, O.; Stephen, L.; Hawkins, P. T.; Whymann, M. P.; Williams, R. L. Structural determinations of phosphoinositide 3-kinase inhibition by wortmannin, LY294002, quercetin, myricetin and staurosporine Mol. Cell 2000, 6, 909-919
-
(2000)
Mol. Cell
, vol.6
, pp. 909-919
-
-
Walker, E.H.1
Pacold, M.E.2
Perisic, O.3
Stephen, L.4
Hawkins, P.T.5
Whymann, M.P.6
Williams, R.L.7
-
26
-
-
0004313709
-
-
Chemical Computing Group Inc.: Montreal, Quebec, Canada.
-
The Molecular Operating Environment (MOE); Chemical Computing Group Inc.: Montreal, Quebec, Canada, 2009.
-
(2009)
The Molecular Operating Environment (MOE)
-
-
-
27
-
-
0032560616
-
Carbomoyl phosphate synthetase: Caught in the act of glutamine hydrolysis
-
Thoden, J. B.; Miran, S. G.; Phillips, J. C.; Howard, A. J.; Raushel, F. M.; Holden, H. M. Carbomoyl phosphate synthetase: Caught in the act of glutamine hydrolysis Biochemistry 1998, 37, 8825-8831
-
(1998)
Biochemistry
, vol.37
, pp. 8825-8831
-
-
Thoden, J.B.1
Miran, S.G.2
Phillips, J.C.3
Howard, A.J.4
Raushel, F.M.5
Holden, H.M.6
-
28
-
-
57149120085
-
Molecular basis of Pirh2-mediated p53 ubiquitylation
-
Sheng, Y.; Laister, R.; Lemak, A.; Wu, B.; Tai, E.; Duan, S.; Lukin, J.; Sunnerhagen, M.; Srisailam, S.; Karra, M.; Benchimol, S.; Arrowsmith, C. H. Molecular basis of Pirh2-mediated p53 ubiquitylation Nat. Struct. Mol. Biol. 2008, 15, 1334-1342
-
(2008)
Nat. Struct. Mol. Biol.
, vol.15
, pp. 1334-1342
-
-
Sheng, Y.1
Laister, R.2
Lemak, A.3
Wu, B.4
Tai, E.5
Duan, S.6
Lukin, J.7
Sunnerhagen, M.8
Srisailam, S.9
Karra, M.10
Benchimol, S.11
Arrowsmith, C.H.12
-
29
-
-
0034886271
-
Structural analysis of a functional DIAP1 fragment bound to grim and hid peptides
-
Wu, J. W.; Cocina, A. E.; Chai, J.; Hay, B. A.; Shi, Y. Structural analysis of a functional DIAP1 fragment bound to grim and hid peptides Mol. Cell 2001, 8, 95-104
-
(2001)
Mol. Cell
, vol.8
, pp. 95-104
-
-
Wu, J.W.1
Cocina, A.E.2
Chai, J.3
Hay, B.A.4
Shi, Y.5
-
30
-
-
0027155448
-
A novel dimer configuration revealed by the crystal structure at 2.4 Å resolution of human interleukin-5
-
Milburn, M. V.; Hassell, A. M.; Lambert, M. H.; Jordan, S. R.; Proudfoot, A. E.; Graber, P.; Wells, T. N. A novel dimer configuration revealed by the crystal structure at 2.4 Å resolution of human interleukin-5 Nature 1993, 363, 172-176
-
(1993)
Nature
, vol.363
, pp. 172-176
-
-
Milburn, M.V.1
Hassell, A.M.2
Lambert, M.H.3
Jordan, S.R.4
Proudfoot, A.E.5
Graber, P.6
Wells, T.N.7
-
31
-
-
84979604581
-
-
Schrödinger, LLC: Portland, OR.
-
Protein Preparation Wizard, Maestro, MacroModel, and Glide; Schrödinger, LLC: Portland, OR, 2009.
-
(2009)
Protein Preparation Wizard, Maestro, MacroModel, and Glide
-
-
-
32
-
-
0036606578
-
NMR Structure of the Hypothetical Protein Encoded by the YjbJ gene from Escherichia coli
-
Pineda-Lucena, A.; Liao, J.; Wu, B.; Yee, A.; Cort, J. R.; Kennedy, M. A.; Edwards, A. M.; Arrowsmith, C. H. NMR Structure of the Hypothetical Protein Encoded by the YjbJ gene from Escherichia coli Proteins: Struct. Funct. Bioinf. 2002, 47, 572-574
-
(2002)
Proteins: Struct. Funct. Bioinf.
, vol.47
, pp. 572-574
-
-
Pineda-Lucena, A.1
Liao, J.2
Wu, B.3
Yee, A.4
Cort, J.R.5
Kennedy, M.A.6
Edwards, A.M.7
Arrowsmith, C.H.8
-
33
-
-
84855663841
-
-
release 3; National Cancer Institute, National Institutes of Health: Bethseda, MD, Sep). Available online at: (accessed Aug 18, 2008).
-
NCI Open Database Compounds, release 3; National Cancer Institute, National Institutes of Health: Bethseda, MD, Sep 2003). Available online at: http://cactus.nci.nih.gov/download/nci (accessed Aug 18, 2008).
-
(2003)
NCI Open Database Compounds
-
-
-
34
-
-
0031024171
-
Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings
-
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 Delivery Rev. 1997, 23, 3-25
-
(1997)
Adv. Drug Delivery Rev.
, vol.23
, pp. 3-25
-
-
Lipinski, C.A.1
Lombardo, F.2
Dominy, B.W.3
Feeney, P.J.4
-
35
-
-
10844238962
-
Computational studies and peptidomimetic design for the human p53-MDM2 complex
-
Zhong, H. Z.; Carlson, H. A. Computational studies and peptidomimetic design for the human p53-MDM2 complex Proteins: Struct. Funct. Bioinf. 2005, 58, 222-234
-
(2005)
Proteins: Struct. Funct. Bioinf.
, vol.58
, pp. 222-234
-
-
Zhong, H.Z.1
Carlson, H.A.2
-
36
-
-
0004016501
-
Comparison of simple potential functions for simulating liquid water
-
Jorgensen, W. L.; Chandrasekhar, J.; Madura, J. D.; Impey, R. W.; Klein, M. L. Comparison of simple potential functions for simulating liquid water J. Chem. Phys. 1983, 79, 926-935
-
(1983)
J. Chem. Phys.
, vol.79
, pp. 926-935
-
-
Jorgensen, W.L.1
Chandrasekhar, J.2
Madura, J.D.3
Impey, R.W.4
Klein, M.L.5
-
37
-
-
33846823909
-
Particle mesh Ewald: An N ·log(N) method for Ewald sums in large systems
-
Darden, T.; York, D.; Pedersen, L. Particle mesh Ewald: An N ·log(N) method for Ewald sums in large systems J. Chem. Phys. 1993, 98, 10089-10092
-
(1993)
J. Chem. Phys.
, vol.98
, pp. 10089-10092
-
-
Darden, T.1
York, D.2
Pedersen, L.3
-
38
-
-
58049201323
-
-
University of California: San Francisco, CA.
-
Case, D. A.; Darden, D. A.; Cheatham, T. E., III; Simmerling, C. L.; Wang, J.; Duke, R. E.; Luo, R.; Crowley, M.; Walker, R. C.; Zhang, W.; Merz, K. M.; Wang, B.; Hayik, S.; Roitberg, A.; Seabra, G.; Kolossvàry, I.; Wong, K. F.; Paesani, F.; Vanicek, J.; Wu, X.; Brozell, S. R.; Steinbrecher, T.; Gohlke, H.; Yang, L.; Mongan, J.; Hornak, V.; Kollman, P. A. AMBER 10; University of California: San Francisco, CA, 2008.
-
(2008)
AMBER 10
-
-
Case, D.A.1
Darden, D.A.2
Iii, E.C.T.3
Simmerling, C.L.4
Wang, J.5
Duke, R.E.6
Luo, R.7
Crowley, M.8
Walker, R.C.9
Zhang, W.10
Merz, K.M.11
Wang, B.12
Hayik, S.13
Roitberg, A.14
Seabra, G.15
Kolossvàry, I.16
Wong, K.F.17
Paesani, F.18
Vanicek, J.19
Wu, X.20
Brozell, S.R.21
Steinbrecher, T.22
Gohlke, H.23
Yang, L.24
Mongan, J.25
Hornak, V.26
Kollman, P.A.27
more..
-
39
-
-
33748518255
-
Comparison of multiple Amber force fields and development of improved protein backbone parameters
-
Hornak, V.; Abel, R.; Okur, A.; Strockbine, B.; Roitberg, A.; Simmerling, C. L. Comparison of multiple Amber force fields and development of improved protein backbone parameters Proteins: Struct. Funct. Bioinf. 2006, 65, 712-725
-
(2006)
Proteins: Struct. Funct. Bioinf.
, vol.65
, pp. 712-725
-
-
Hornak, V.1
Abel, R.2
Okur, A.3
Strockbine, B.4
Roitberg, A.5
Simmerling, C.L.6
-
40
-
-
13344276592
-
Studies on the mechanism of phosphatidylinositol 3-kinase inhibition by wortmannin and related analogs
-
Norman, B. H.; Shih, C.; Toth, J. E.; Ray, J. E.; Dodge, J. A.; Johnson, D. W.; Rutherford, P. G.; Schultz, R. M.; Worzalla, J. F.; Vlahos, C. J. Studies on the mechanism of phosphatidylinositol 3-kinase inhibition by wortmannin and related analogs J. Med. Chem. 1996, 39, 1106-1111
-
(1996)
J. Med. Chem.
, vol.39
, pp. 1106-1111
-
-
Norman, B.H.1
Shih, C.2
Toth, J.E.3
Ray, J.E.4
Dodge, J.A.5
Johnson, D.W.6
Rutherford, P.G.7
Schultz, R.M.8
Worzalla, J.F.9
Vlahos, C.J.10
-
41
-
-
33947730475
-
Synthesis and biological evaluation of pyrido[3′,2′:4,5] furo[3,2-d]pyrimidine derivatives as novel PI3 kinase p110α inhibitors
-
DOI 10.1016/j.bmcl.2007.02.032, PII S0960894X07002302
-
Hayakawa, M.; Kaizawa, H.; Moritomo, H.; Koizumi, T.; Ohishi, T.; Yamano, M.; Okada, M.; Ohta, M.; Tsukamoto, S.; Raynaud, F. I.; Workman, P.; Waterfield, M.; Parker, P. Synthesis and biological evaluation of pyrido[3′,2′:4,5]furo [3,2-d]pyrimidine derivatives as novel PI3 kinase p110α inhibitors Bioorg. Med. Chem. Lett. 2007, 17, 2438-2442 (Pubitemid 46507793)
-
(2007)
Bioorganic and Medicinal Chemistry Letters
, vol.17
, Issue.9
, pp. 2438-2442
-
-
Hayakawa, M.1
Kaizawa, H.2
Moritomo, H.3
Koizumi, T.4
Ohishi, T.5
Yamano, M.6
Okada, M.7
Ohta, M.8
Tsukamoto, S.-i.9
Raynaud, F.I.10
Workman, P.11
Waterfield, M.D.12
Parker, P.13
-
42
-
-
77954638677
-
Discovery of GSK2126458, a highly potent inhibitor of PI3K and the mammalian target of rapamycin
-
Knight, S. D.; Adams, N. D.; Burgess, J. L.; Chaudhari, A. M.; Darcy, M. G.; Donatelli, C. A.; Luengo, J. I.; Newlander, K. A.; Parrish, C. A.; Ridgers, L. H.; Sarpong, M. A.; Schmidt, S. J.; Van Aller, G. S.; Carson, J. D.; Diamond, M. A.; Elkins, P. A.; Gardiner, C. M.; Garver, E.; Gilbert, S. A.; Gontarek, R. R.; Jackson, J. R.; Kershner, K. L.; Luo, L.; Raha, K.; Sherk, C. S.; Sung, C.-M.; Sutton, D.; Tummino, P. J.; Wegrzyn, R. J.; Auger, K. R.; Dhanak, D. Discovery of GSK2126458, a highly potent inhibitor of PI3K and the mammalian target of rapamycin ACS Med. Chem. Lett. 2010, 1, 39-43
-
(2010)
ACS Med. Chem. Lett.
, vol.1
, pp. 39-43
-
-
Knight, S.D.1
Adams, N.D.2
Burgess, J.L.3
Chaudhari, A.M.4
Darcy, M.G.5
Donatelli, C.A.6
Luengo, J.I.7
Newlander, K.A.8
Parrish, C.A.9
Ridgers, L.H.10
Sarpong, M.A.11
Schmidt, S.J.12
Van Aller, G.S.13
Carson, J.D.14
Diamond, M.A.15
Elkins, P.A.16
Gardiner, C.M.17
Garver, E.18
Gilbert, S.A.19
Gontarek, R.R.20
Jackson, J.R.21
Kershner, K.L.22
Luo, L.23
Raha, K.24
Sherk, C.S.25
Sung, C.-M.26
Sutton, D.27
Tummino, P.J.28
Wegrzyn, R.J.29
Auger, K.R.30
Dhanak, D.31
more..
-
43
-
-
75749088885
-
Class i phosphor-inositide-3-kinase (PI3Ks) isoform-specific inhibition study by the combination of docking and molecular dynamics simulation
-
Han, M.; Zhang, J. Z. H. Class I phosphor-inositide-3-kinase (PI3Ks) isoform-specific inhibition study by the combination of docking and molecular dynamics simulation J. Chem. Inf. Model. 2010, 50, 136-145
-
(2010)
J. Chem. Inf. Model.
, vol.50
, pp. 136-145
-
-
Han, M.1
Zhang, J.Z.H.2
|