Identification of allosteric binding sites for PI3Kα oncogenic mutant specific inhibitor design
- Authors:
- Publication Date:
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- OSTI Identifier:
- 1414015
- Grant/Contract Number:
- AC02-06CH11357; AC02-05CH11231
- Resource Type:
- Publisher's Accepted Manuscript
- Journal Name:
- Bioorganic and Medicinal Chemistry
- Additional Journal Information:
- Journal Name: Bioorganic and Medicinal Chemistry Journal Volume: 25 Journal Issue: 4; Journal ID: ISSN 0968-0896
- Publisher:
- Elsevier
- Country of Publication:
- United Kingdom
- Language:
- English
Citation Formats
Miller, Michelle S., Maheshwari, Sweta, McRobb, Fiona M., Kinzler, Kenneth W., Amzel, L. Mario, Vogelstein, Bert, and Gabelli, Sandra B. Identification of allosteric binding sites for PI3Kα oncogenic mutant specific inhibitor design. United Kingdom: N. p., 2017.
Web. doi:10.1016/j.bmc.2017.01.012.
Miller, Michelle S., Maheshwari, Sweta, McRobb, Fiona M., Kinzler, Kenneth W., Amzel, L. Mario, Vogelstein, Bert, & Gabelli, Sandra B. Identification of allosteric binding sites for PI3Kα oncogenic mutant specific inhibitor design. United Kingdom. https://doi.org/10.1016/j.bmc.2017.01.012
Miller, Michelle S., Maheshwari, Sweta, McRobb, Fiona M., Kinzler, Kenneth W., Amzel, L. Mario, Vogelstein, Bert, and Gabelli, Sandra B. Wed .
"Identification of allosteric binding sites for PI3Kα oncogenic mutant specific inhibitor design". United Kingdom. https://doi.org/10.1016/j.bmc.2017.01.012.
@article{osti_1414015,
title = {Identification of allosteric binding sites for PI3Kα oncogenic mutant specific inhibitor design},
author = {Miller, Michelle S. and Maheshwari, Sweta and McRobb, Fiona M. and Kinzler, Kenneth W. and Amzel, L. Mario and Vogelstein, Bert and Gabelli, Sandra B.},
abstractNote = {},
doi = {10.1016/j.bmc.2017.01.012},
journal = {Bioorganic and Medicinal Chemistry},
number = 4,
volume = 25,
place = {United Kingdom},
year = {Wed Feb 01 00:00:00 EST 2017},
month = {Wed Feb 01 00:00:00 EST 2017}
}
Free Publicly Available Full Text
Publisher's Version of Record
https://doi.org/10.1016/j.bmc.2017.01.012
https://doi.org/10.1016/j.bmc.2017.01.012
Other availability
Search WorldCat to find libraries that may hold this journal
Cited by: 18 works
Citation information provided by
Web of Science
Web of Science
Save to My Library
You must Sign In or Create an Account in order to save documents to your library.
Works referenced in this record:
The p110 isoform of PI3K is essential for proper growth factor signaling and oncogenic transformation
journal, October 2006
- Zhao, J. J.; Cheng, H.; Jia, S.
- Proceedings of the National Academy of Sciences, Vol. 103, Issue 44
Fragment-Based Screening by Protein Crystallography: Successes and Pitfalls
journal, October 2012
- Chilingaryan, Zorik; Yin, Zhou; Oakley, Aaron J.
- International Journal of Molecular Sciences, Vol. 13, Issue 12
Competitive Fluorescence Polarization Assays for the Detection of Phosphoinositide Kinase and Phosphatase Activity
journal, June 2003
- Drees, Beth; Weipert, Amber; Hudson, Heather
- Combinatorial Chemistry & High Throughput Screening, Vol. 6, Issue 4
Molecular Pathways: Targeting Phosphoinositide 3-Kinase p110-Delta in Chronic Lymphocytic Leukemia: Figure 1.
journal, June 2012
- Herman, Sarah E. M.; Johnson, Amy J.
- Clinical Cancer Research, Vol. 18, Issue 15
Refinement of Macromolecular Structures by the Maximum-Likelihood Method
journal, May 1997
- Murshudov, G. N.; Vagin, A. A.; Dodson, E. J.
- Acta Crystallographica Section D Biological Crystallography, Vol. 53, Issue 3
Overview of the CCP 4 suite and current developments
journal, March 2011
- Winn, Martyn D.; Ballard, Charles C.; Cowtan, Kevin D.
- Acta Crystallographica Section D Biological Crystallography, Vol. 67, Issue 4
Mutation distributions and clinical correlations of PIK3CA gene mutations in breast cancer
journal, February 2016
- Dirican, Ebubekir; Akkiprik, Mustafa; Özer, Ayşe
- Tumor Biology, Vol. 37, Issue 6
Effective use of PI3K inhibitor BKM120 and PARP inhibitor Olaparib to treat PIK3CA mutant ovarian cancer
journal, February 2016
- Wang, Dong; Wang, Min; Jiang, Nan
- Oncotarget, Vol. 7, Issue 11
Regulation of lipid binding underlies the activation mechanism of class IA PI3-kinases
journal, November 2011
- Hon, W-C; Berndt, A.; Williams, R. L.
- Oncogene, Vol. 31, Issue 32
Allosteric small-molecule kinase inhibitors
journal, December 2015
- Wu, Peng; Clausen, Mads H.; Nielsen, Thomas E.
- Pharmacology & Therapeutics, Vol. 156
The Next Generation of Phosphodiesterase Inhibitors: Structural Clues to Ligand and Substrate Selectivity of Phosphodiesterases
journal, May 2005
- Manallack, David T.; Hughes, Richard A.; Thompson, Philip E.
- Journal of Medicinal Chemistry, Vol. 48, Issue 10
Identifying and Characterizing Binding Sites and Assessing Druggability
journal, January 2009
- Halgren, Thomas A.
- Journal of Chemical Information and Modeling, Vol. 49, Issue 2
Identification and Characterization of NVP-BKM120, an Orally Available Pan-Class I PI3-Kinase Inhibitor
journal, December 2011
- Maira, Sauveur-Michel; Pecchi, Sabina; Huang, Alan
- Molecular Cancer Therapeutics, Vol. 11, Issue 2
Coot model-building tools for molecular graphics
journal, November 2004
- Emsley, Paul; Cowtan, Kevin
- Acta Crystallographica Section D Biological Crystallography, Vol. 60, Issue 12, p. 2126-2132
New Substructure Filters for Removal of Pan Assay Interference Compounds (PAINS) from Screening Libraries and for Their Exclusion in Bioassays
journal, April 2010
- Baell, Jonathan B.; Holloway, Georgina A.
- Journal of Medicinal Chemistry, Vol. 53, Issue 7
A Pharmacological Map of the PI3-K Family Defines a Role for p110α in Insulin Signaling
journal, May 2006
- Knight, Zachary A.; Gonzalez, Beatriz; Feldman, Morri E.
- Cell, Vol. 125, Issue 4
A Conserved Pocket in the Dengue Virus Polymerase Identified through Fragment-based Screening
journal, April 2016
- Noble, Christian G.; Lim, Siew Pheng; Arora, Rishi
- Journal of Biological Chemistry, Vol. 291, Issue 16
High Frequency of Mutations of the PIK3CA Gene in Human Cancers
journal, April 2004
- Samuels, Y.
- Science, Vol. 304, Issue 5670
REFMAC 5 dictionary: organization of prior chemical knowledge and guidelines for its use
journal, November 2004
- Vagin, Alexei A.; Steiner, Roberto A.; Lebedev, Andrey A.
- Acta Crystallographica Section D Biological Crystallography, Vol. 60, Issue 12
Allosteric Akt (PKB) inhibitors: discovery and SAR of isozyme selective inhibitors
journal, February 2005
- Lindsley, Craig W.; Zhao, Zhijian; Leister, William H.
- Bioorganic & Medicinal Chemistry Letters, Vol. 15, Issue 3
Effects of oncogenic p110α subunit mutations on the lipid kinase activity of phosphoinositide 3-kinase
journal, December 2007
- Carson, Jeffrey D.; Van Aller, Glenn; Lehr, Ruth
- Biochemical Journal, Vol. 409, Issue 2
Abstract 2526: Detection of Ara-CTP following exposure to CPX-351 and potentiation of action by fludarabine in leukemia cell lines using a bioluminescent bacterial biosensor
conference, August 2015
- Mayer, Lawrence D.; Anderson, Elizabeth; Bone, Heather
- Proceedings: AACR 106th Annual Meeting 2015; April 18-22, 2015; Philadelphia, PA, Experimental and Molecular Therapeutics
The Structure of a Human p110 /p85 Complex Elucidates the Effects of Oncogenic PI3K Mutations
journal, December 2007
- Huang, C. -H.; Mandelker, D.; Schmidt-Kittler, O.
- Science, Vol. 318, Issue 5857
Structural basis of nSH2 regulation and lipid binding in PI3Kα
journal, July 2014
- Miller, Michelle S.; Schmidt-Kittler, Oleg; Bolduc, David M.
- Oncotarget, Vol. 5, Issue 14
Detection of secondary binding sites in proteins using fragment screening
journal, December 2015
- Ludlow, R. Frederick; Verdonk, Marcel L.; Saini, Harpreet K.
- Proceedings of the National Academy of Sciences, Vol. 112, Issue 52
FDA Approval: Idelalisib Monotherapy for the Treatment of Patients with Follicular Lymphoma and Small Lymphocytic Lymphoma
journal, February 2015
- Miller, Barry W.; Przepiorka, Donna; de Claro, R. Angelo
- Clinical Cancer Research, Vol. 21, Issue 7
Targeting PI3Kδ: Emerging Therapy for Chronic Lymphocytic Leukemia and Beyond: TARGETING PI3Kδ in CLL
journal, March 2015
- Wei, Manman; Wang, Xiang; Song, Zilan
- Medicinal Research Reviews, Vol. 35, Issue 4
Idelalisib and Rituximab in Relapsed Chronic Lymphocytic Leukemia
journal, March 2014
- Furman, Richard R.; Sharman, Jeff P.; Coutre, Steven E.
- New England Journal of Medicine, Vol. 370, Issue 11
Akt inhibitors in cancer treatment: The long journey from drug discovery to clinical use (Review)
journal, December 2015
- Nitulescu, George Mihai; Margina, Denisa; Juzenas, Petras
- International Journal of Oncology, Vol. 48, Issue 3
The Akt/PKB Family of Protein Kinases: A Review of Small Molecule Inhibitors and Progress Towards Target Validation: A 2009 Update
journal, March 2010
- Lindsley, Craig
- Current Topics in Medicinal Chemistry, Vol. 10, Issue 4
Adaptively randomized trial of neoadjuvant chemotherapy with or without the Akt inhibitor MK-2206: Graduation results from the I-SPY 2 Trial.
journal, May 2015
- Tripathy, Debu; Chien, Amy Jo; Hylton, Nola
- Journal of Clinical Oncology, Vol. 33, Issue 15_suppl
A frequent kinase domain mutation that changes the interaction between PI3K and the membrane
journal, September 2009
- Mandelker, D.; Gabelli, S. B.; Schmidt-Kittler, O.
- Proceedings of the National Academy of Sciences, Vol. 106, Issue 40
CAL-101: a phosphatidylinositol-3-kinase p110-delta inhibitor for the treatment of lymphoid malignancies
journal, November 2011
- Castillo, Jorge J.; Furman, Michael; Winer, Eric S.
- Expert Opinion on Investigational Drugs, Vol. 21, Issue 1
Discovery of NVP-BYL719 a potent and selective phosphatidylinositol-3 kinase alpha inhibitor selected for clinical evaluation
journal, July 2013
- Furet, Pascal; Guagnano, Vito; Fairhurst, Robin A.
- Bioorganic & Medicinal Chemistry Letters, Vol. 23, Issue 13
Regulation of the p85/p110 Phosphatidylinositol 3′-Kinase: Stabilization and Inhibition of the p110α Catalytic Subunit by the p85 Regulatory Subunit
journal, March 1998
- Yu, Jinghua; Zhang, Yitao; McIlroy, James
- Molecular and Cellular Biology, Vol. 18, Issue 3
Oncogenic PIK3CA mutations reprogram glutamine metabolism in colorectal cancer
journal, June 2016
- Hao, Yujun; Samuels, Yardena; Li, Qingling
- Nature Communications, Vol. 7, Issue 1
Identification of NVP-BKM120 as a Potent, Selective, Orally Bioavailable Class I PI3 Kinase Inhibitor for Treating Cancer
journal, August 2011
- Burger, Matthew T.; Pecchi, Sabina; Wagman, Allan
- ACS Medicinal Chemistry Letters, Vol. 2, Issue 10
[20] Processing of X-ray diffraction data collected in oscillation mode
book, January 1997
- Otwinowski, Zbyszek; Minor, Wladek
- Macromolecular Crystallography Part A, 307-326
Identification of mechanistically distinct inhibitors of HIV-1 reverse transcriptase through fragment screening
journal, May 2015
- La, Jennifer; Latham, Catherine F.; Tinetti, Ricky N.
- Proceedings of the National Academy of Sciences, Vol. 112, Issue 22
Protein and ligand preparation: parameters, protocols, and influence on virtual screening enrichments
journal, March 2013
- Madhavi Sastry, G.; Adzhigirey, Matvey; Day, Tyler
- Journal of Computer-Aided Molecular Design, Vol. 27, Issue 3
New Method for Fast and Accurate Binding-site Identification and Analysis
journal, February 2007
- Halgren, Tom
- Chemical Biology & Drug Design, Vol. 69, Issue 2
Mutant Metabolic Enzymes Are at the Origin of Gliomas: Figure 1.
journal, December 2009
- Yan, Hai; Bigner, Darell D.; Velculescu, Victor
- Cancer Research, Vol. 69, Issue 24
Critical role for the p110α phosphoinositide-3-OH kinase in growth and metabolic regulation
journal, April 2006
- Foukas, Lazaros C.; Claret, Marc; Pearce, Wayne
- Nature, Vol. 441, Issue 7091
Overexpression of PIK3CA in murine head and neck epithelium drives tumor invasion and metastasis through PDK1 and enhanced TGFβ signaling
journal, February 2016
- Du, L.; Chen, X.; Cao, Y.
- Oncogene, Vol. 35, Issue 35
Protein crystallography and fragment-based drug design
journal, June 2013
- Caliandro, Rocco; Belviso, Danilo Benny; Aresta, Brunella Maria
- Future Medicinal Chemistry, Vol. 5, Issue 10