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Items: 22

1.

Selective, Small-Molecule Co-Factor Binding Site Inhibition of a Su(var)3-9, Enhancer of Zeste, Trithorax Domain Containing Lysine Methyltransferase.

Taylor AP, Swewczyk M, Kennedy S, Trush VV, Wu H, Zeng H, Dong A, Ferreira de Freitas R, Tatlock J, Kumpf RA, Wythes M, Casimiro-Garcia A, Denny RA, Parikh MD, Li F, Barsyte-Lovejoy D, Schapira M, Vedadi M, Brown PJ, Arrowsmith CH, Owen DR.

J Med Chem. 2019 Sep 12;62(17):7669-7683. doi: 10.1021/acs.jmedchem.9b00112. Epub 2019 Sep 3.

PMID:
31415173
2.

Millisecond dynamics of BTK reveal kinome-wide conformational plasticity within the apo kinase domain.

Sultan MM, Denny RA, Unwalla R, Lovering F, Pande VS.

Sci Rep. 2017 Nov 15;7(1):15604. doi: 10.1038/s41598-017-10697-0.

3.

Progress towards a public chemogenomic set for protein kinases and a call for contributions.

Drewry DH, Wells CI, Andrews DM, Angell R, Al-Ali H, Axtman AD, Capuzzi SJ, Elkins JM, Ettmayer P, Frederiksen M, Gileadi O, Gray N, Hooper A, Knapp S, Laufer S, Luecking U, Michaelides M, Müller S, Muratov E, Denny RA, Saikatendu KS, Treiber DK, Zuercher WJ, Willson TM.

PLoS One. 2017 Aug 2;12(8):e0181585. doi: 10.1371/journal.pone.0181585. eCollection 2017.

4.

Markov modeling reveals novel intracellular modulation of the human TREK-2 selectivity filter.

Harrigan MP, McKiernan KA, Shanmugasundaram V, Denny RA, Pande VS.

Sci Rep. 2017 Apr 4;7(1):632. doi: 10.1038/s41598-017-00256-y.

5.

Structure-Based Design of Highly Selective Inhibitors of the CREB Binding Protein Bromodomain.

Denny RA, Flick AC, Coe J, Langille J, Basak A, Liu S, Stock I, Sahasrabudhe P, Bonin P, Hay DA, Brennan PE, Pletcher M, Jones LH, Chekler ELP.

J Med Chem. 2017 Jul 13;60(13):5349-5363. doi: 10.1021/acs.jmedchem.6b01839. Epub 2017 May 12.

PMID:
28375629
6.
7.

Increasing the Endoplasmic Reticulum Pool of the F508del Allele of the Cystic Fibrosis Transmembrane Conductance Regulator Leads to Greater Folding Correction by Small Molecule Therapeutics.

Chung WJ, Goeckeler-Fried JL, Havasi V, Chiang A, Rowe SM, Plyler ZE, Hong JS, Mazur M, Piazza GA, Keeton AB, White EL, Rasmussen L, Weissman AM, Denny RA, Brodsky JL, Sorscher EJ.

PLoS One. 2016 Oct 12;11(10):e0163615. doi: 10.1371/journal.pone.0163615. eCollection 2016.

8.

Computational Modeling of β-Secretase 1 (BACE-1) Inhibitors Using Ligand Based Approaches.

Subramanian G, Ramsundar B, Pande V, Denny RA.

J Chem Inf Model. 2016 Oct 24;56(10):1936-1949. doi: 10.1021/acs.jcim.6b00290. Epub 2016 Oct 10.

PMID:
27689393
9.

Transcriptional Profiling of a Selective CREB Binding Protein Bromodomain Inhibitor Highlights Therapeutic Opportunities.

Chekler EL, Pellegrino JA, Lanz TA, Denny RA, Flick AC, Coe J, Langille J, Basak A, Liu S, Stock IA, Sahasrabudhe P, Bonin PD, Lee K, Pletcher MT, Jones LH.

Chem Biol. 2015 Dec 17;22(12):1588-96. doi: 10.1016/j.chembiol.2015.10.013. Epub 2015 Dec 3.

10.

Fluorine in drug design: a case study with fluoroanisoles.

Xing L, Blakemore DC, Narayanan A, Unwalla R, Lovering F, Denny RA, Zhou H, Bunnage ME.

ChemMedChem. 2015 Apr;10(4):715-26. doi: 10.1002/cmdc.201402555. Epub 2015 Mar 6.

PMID:
25755132
11.

Recent developments in targeting protein misfolding diseases.

Denny RA, Gavrin LK, Saiah E.

Bioorg Med Chem Lett. 2013 Apr 1;23(7):1935-44. doi: 10.1016/j.bmcl.2013.01.089. Epub 2013 Feb 4. Review.

12.

Small molecules that target protein misfolding.

Gavrin LK, Denny RA, Saiah E.

J Med Chem. 2012 Dec 27;55(24):10823-43. doi: 10.1021/jm301182j. Epub 2012 Nov 1.

PMID:
23075044
13.

Discovery of indazoles as inhibitors of Tpl2 kinase.

Hu Y, Cole D, Denny RA, Anderson DR, Ipek M, Ni Y, Wang X, Thaisrivongs S, Chamberlain T, Hall JP, Liu J, Luong M, Lin LL, Telliez JB, Gopalsamy A.

Bioorg Med Chem Lett. 2011 Aug 15;21(16):4758-61. doi: 10.1016/j.bmcl.2011.06.065. Epub 2011 Jun 22.

PMID:
21742493
14.

A protein relational database and protein family knowledge bases to facilitate structure-based design analyses.

Mobilio D, Walker G, Brooijmans N, Nilakantan R, Denny RA, Dejoannis J, Feyfant E, Kowticwar RK, Mankala J, Palli S, Punyamantula S, Tatipally M, John RK, Humblet C.

Chem Biol Drug Des. 2010 Aug;76(2):142-53. doi: 10.1111/j.1747-0285.2010.00994.x.

PMID:
20629978
15.

Insights for predicting blood-brain barrier penetration of CNS targeted molecules using QSPR approaches.

Fan Y, Unwalla R, Denny RA, Di L, Kerns EH, Diller DJ, Humblet C.

J Chem Inf Model. 2010 Jun 28;50(6):1123-33. doi: 10.1021/ci900384c.

PMID:
20578728
16.

An enriched structural kinase database to enable kinome-wide structure-based analyses and drug discovery.

Brooijmans N, Chang YW, Mobilio D, Denny RA, Humblet C.

Protein Sci. 2010 Apr;19(4):763-74. doi: 10.1002/pro.355.

17.

A structural informatics approach to mine kinase knowledge bases.

Brooijmans N, Mobilio D, Walker G, Nilakantan R, Denny RA, Feyfant E, Diller D, Bikker J, Humblet C.

Drug Discov Today. 2010 Mar;15(5-6):203-9. doi: 10.1016/j.drudis.2009.11.005. Epub 2009 Dec 3. Review.

PMID:
19948242
18.

Development of QSAR models for microsomal stability: identification of good and bad structural features for rat, human and mouse microsomal stability.

Hu Y, Unwalla R, Denny RA, Bikker J, Di L, Humblet C.

J Comput Aided Mol Des. 2010 Jan;24(1):23-35. doi: 10.1007/s10822-009-9309-9. Epub 2009 Nov 24.

PMID:
19937264
19.

Tetrahydrocarbazole-based serotonin reuptake inhibitor/dopamine D2 partial agonists for the potential treatment of schizophrenia.

Rotella DP, McFarlane GR, Greenfield A, Grosanu C, Robichaud AJ, Denny RA, Feenstra RW, Núñez-García S, Reinders JH, Neut Mv, McCreary A, Kruse CG, Sullivan K, Pruthi F, Lai M, Zhang J, Kowal DM, Carrick T, Grauer SM, Navarra RL, Graf R, Brennan J, Marquis KL, Pausch MH.

Bioorg Med Chem Lett. 2009 Oct 1;19(19):5552-5. doi: 10.1016/j.bmcl.2009.08.050. Epub 2009 Aug 15.

PMID:
19720528
20.

CONFIRM: connecting fragments found in receptor molecules.

Thompson DC, Denny RA, Nilakantan R, Humblet C, Joseph-McCarthy D, Feyfant E.

J Comput Aided Mol Des. 2008 Oct;22(10):761-72. doi: 10.1007/s10822-008-9221-8. Epub 2008 Jul 9.

PMID:
18612831
21.

Trap models and slow dynamics in supercooled liquids.

Denny RA, Reichman DR, Bouchaud JP.

Phys Rev Lett. 2003 Jan 17;90(2):025503. Epub 2003 Jan 17.

PMID:
12570556
22.

Mode-coupling theory of the fifth-order Raman spectrum of an atomic liquid.

Denny RA, Reichman DR.

Phys Rev E Stat Nonlin Soft Matter Phys. 2001 Jun;63(6 Pt 2):065101. Epub 2001 May 10.

PMID:
11415156

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