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Items: 1 to 20 of 113

1.

Development and Validation of 2D Difference Intensity Analysis for Chemical Library Screening by Protein-Detected NMR Spectroscopy.

Egner JM, Jensen DR, Olp MD, Kennedy NW, Volkman BF, Peterson FC, Smith BC, Hill RB.

Chembiochem. 2018 Mar 2;19(5):448-458. doi: 10.1002/cbic.201700386. Epub 2018 Jan 25.

2.

NMR-based platform for fragment-based lead discovery used in screening BRD4-targeted compounds.

Yu JL, Chen TT, Zhou C, Lian FL, Tang XL, Wen Y, Shen JK, Xu YC, Xiong B, Zhang NX.

Acta Pharmacol Sin. 2016 Jul;37(7):984-93. doi: 10.1038/aps.2016.19. Epub 2016 May 30.

3.

Advancing fragment binders to lead-like compounds using ligand and protein-based NMR spectroscopy.

Maurer T.

Methods Enzymol. 2011;493:469-85. doi: 10.1016/B978-0-12-381274-2.00018-2.

PMID:
21371602
4.

Fragment-based optimization of small molecule CXCL12 inhibitors for antagonizing the CXCL12/CXCR4 interaction.

Ziarek JJ, Liu Y, Smith E, Zhang G, Peterson FC, Chen J, Yu Y, Chen Y, Volkman BF, Li R.

Curr Top Med Chem. 2012;12(24):2727-40.

5.

Molecular-Simulation-Driven Fragment Screening for the Discovery of New CXCL12 Inhibitors.

Martinez-Rosell G, Harvey MJ, De Fabritiis G.

J Chem Inf Model. 2018 Mar 26;58(3):683-691. doi: 10.1021/acs.jcim.7b00625. Epub 2018 Mar 1.

PMID:
29481075
6.

Discovery of novel small-molecule inhibitors of BRD4 using structure-based virtual screening.

Vidler LR, Filippakopoulos P, Fedorov O, Picaud S, Martin S, Tomsett M, Woodward H, Brown N, Knapp S, Hoelder S.

J Med Chem. 2013 Oct 24;56(20):8073-88. doi: 10.1021/jm4011302. Epub 2013 Oct 3.

7.

Target immobilization as a strategy for NMR-based fragment screening: comparison of TINS, STD, and SPR for fragment hit identification.

Kobayashi M, Retra K, Figaroa F, Hollander JG, Ab E, Heetebrij RJ, Irth H, Siegal G.

J Biomol Screen. 2010 Sep;15(8):978-89. doi: 10.1177/1087057110375614.

PMID:
20817886
8.

Ligand-Orientation Based Fragment Selection in STD NMR Screening.

Cala O, Krimm I.

J Med Chem. 2015 Nov 12;58(21):8739-42. doi: 10.1021/acs.jmedchem.5b01114. Epub 2015 Oct 29.

PMID:
26492576
9.

NMR in drug discovery on membrane proteins.

Wirmer-Bartoschek J, Bartoschek S.

Future Med Chem. 2012 May;4(7):869-75. doi: 10.4155/fmc.12.46. Review.

PMID:
22571612
10.

Practical aspects of NMR-based fragment screening.

Lepre CA.

Methods Enzymol. 2011;493:219-39. doi: 10.1016/B978-0-12-381274-2.00009-1.

PMID:
21371593
11.

Straightforward hit identification approach in fragment-based discovery of bromodomain-containing protein 4 (BRD4) inhibitors.

Borysko P, Moroz YS, Vasylchenko OV, Hurmach VV, Starodubtseva A, Stefanishena N, Nesteruk K, Zozulya S, Kondratov IS, Grygorenko OO.

Bioorg Med Chem. 2018 Jul 23;26(12):3399-3405. doi: 10.1016/j.bmc.2018.05.010. Epub 2018 May 9.

PMID:
29764756
12.

Exploring weak ligand-protein interactions by long-lived NMR states: improved contrast in fragment-based drug screening.

Buratto R, Mammoli D, Chiarparin E, Williams G, Bodenhausen G.

Angew Chem Int Ed Engl. 2014 Oct 13;53(42):11376-80. doi: 10.1002/anie.201404921. Epub 2014 Sep 4.

13.

Integrated biophysical approach to fragment screening and validation for fragment-based lead discovery.

Silvestre HL, Blundell TL, Abell C, Ciulli A.

Proc Natl Acad Sci U S A. 2013 Aug 6;110(32):12984-9. doi: 10.1073/pnas.1304045110. Epub 2013 Jul 19.

14.

NMR characterization of weak interactions between RhoGDI2 and fragment screening hits.

Liu J, Gao J, Li F, Ma R, Wei Q, Wang A, Wu J, Ruan K.

Biochim Biophys Acta Gen Subj. 2017 Jan;1861(1 Pt A):3061-3070. doi: 10.1016/j.bbagen.2016.10.003. Epub 2016 Oct 6.

PMID:
27721047
15.

Design and NMR-based screening of LEF, a library of chemical fragments with different local environment of fluorine.

Vulpetti A, Hommel U, Landrum G, Lewis R, Dalvit C.

J Am Chem Soc. 2009 Sep 16;131(36):12949-59. doi: 10.1021/ja905207t.

PMID:
19702332
16.

NMR screening and hit validation in fragment based drug discovery.

Campos-Olivas R.

Curr Top Med Chem. 2011;11(1):43-67. Review.

PMID:
20809889
17.

Identification of B. anthracis N(5)-carboxyaminoimidazole ribonucleotide mutase (PurE) active site binding compounds via fragment library screening.

Lei H, Jones C, Zhu T, Patel K, Wolf NM, Fung LW, Lee H, Johnson ME.

Bioorg Med Chem. 2016 Feb 15;24(4):596-605. doi: 10.1016/j.bmc.2015.12.029. Epub 2015 Dec 18.

PMID:
26740153
18.

Process of Fragment-Based Lead Discovery-A Perspective from NMR.

Ma R, Wang P, Wu J, Ruan K.

Molecules. 2016 Jul 16;21(7). pii: E854. doi: 10.3390/molecules21070854. Review.

19.

Locating sweet spots for screening hits and evaluating pan-assay interference filters from the performance analysis of two lead-like libraries.

Mok NY, Maxe S, Brenk R.

J Chem Inf Model. 2013 Mar 25;53(3):534-44. doi: 10.1021/ci300382f. Epub 2013 Mar 4.

20.

Establish an automated flow injection ESI-MS method for the screening of fragment based libraries: Application to Hsp90.

Riccardi Sirtori F, Caronni D, Colombo M, Dalvit C, Paolucci M, Regazzoni L, Visco C, Fogliatto G.

Eur J Pharm Sci. 2015 Aug 30;76:83-94. doi: 10.1016/j.ejps.2015.05.001. Epub 2015 May 4.

PMID:
25952103

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