Kitchen DB - Search Results

1

Docking and scoring in virtual screening for drug discovery: methods and applications.

Kitchen DB, Decornez H, Furr JR, Bajorath J. Kitchen DB, et al. Nat Rev Drug Discov. 2004 Nov;3(11):935-49. doi: 10.1038/nrd1549. Nat Rev Drug Discov. 2004. PMID: 15520816 Review.

2

Early phase drug discovery: cheminformatics and computational techniques in identifying lead series.

Duffy BC, Zhu L, Decornez H, Kitchen DB. Duffy BC, et al. Among authors: kitchen db. Bioorg Med Chem. 2012 Sep 15;20(18):5324-42. doi: 10.1016/j.bmc.2012.04.062. Epub 2012 May 5. Bioorg Med Chem. 2012. PMID: 22938785 Review.

3

Computational techniques for diversity analysis and compound classification.

Kitchen DB, Stahura FL, Bajorath J. Kitchen DB, et al. Mini Rev Med Chem. 2004 Dec;4(10):1029-39. doi: 10.2174/1389557043402982. Mini Rev Med Chem. 2004. PMID: 15579111 Review.

4

Design, selection, and evaluation of a general kinase-focused library.

Decornez H, Gulyás-Forró A, Papp A, Szabó M, Sármay G, Hajdú I, Cseh S, Dormán G, Kitchen DB. Decornez H, et al. Among authors: kitchen db. ChemMedChem. 2009 Aug;4(8):1273-8. doi: 10.1002/cmdc.200900164. ChemMedChem. 2009. PMID: 19551802 No abstract available.

5

Median Partitioning: a novel method for the selection of representative subsets from large compound pools.

Godden JW, Xue L, Kitchen DB, Stahura FL, Schermerhorn EJ, Bajorath J. Godden JW, et al. Among authors: kitchen db. J Chem Inf Comput Sci. 2002 Jul-Aug;42(4):885-93. doi: 10.1021/ci0203693. J Chem Inf Comput Sci. 2002. PMID: 12132890

6

Discovery of a new chemical series of BRD4(1) inhibitors using protein-ligand docking and structure-guided design.

Duffy BC, Liu S, Martin GS, Wang R, Hsia MM, Zhao H, Guo C, Ellis M, Quinn JF, Kharenko OA, Norek K, Gesner EM, Young PR, McLure KG, Wagner GS, Lakshminarasimhan D, White A, Suto RK, Hansen HC, Kitchen DB. Duffy BC, et al. Among authors: kitchen db. Bioorg Med Chem Lett. 2015 Jul 15;25(14):2818-23. doi: 10.1016/j.bmcl.2015.04.107. Epub 2015 May 11. Bioorg Med Chem Lett. 2015. PMID: 26022843

7

Computer-aided drug discovery research at a global contract research organization.

Kitchen DB. Kitchen DB. J Comput Aided Mol Des. 2017 Mar;31(3):309-318. doi: 10.1007/s10822-016-9991-3. Epub 2016 Nov 1. J Comput Aided Mol Des. 2017. PMID: 27804014

8

Design and synthesis of aryl ether and sulfone hydroxamic acids as potent histone deacetylase (HDAC) inhibitors.

Pabba C, Gregg BT, Kitchen DB, Chen ZJ, Judkins A. Pabba C, et al. Among authors: kitchen db. Bioorg Med Chem Lett. 2011 Jan 1;21(1):324-8. doi: 10.1016/j.bmcl.2010.11.006. Epub 2010 Nov 5. Bioorg Med Chem Lett. 2011. PMID: 21109435

9

Computational models to predict blood-brain barrier permeation and CNS activity.

Subramanian G, Kitchen DB. Subramanian G, et al. Among authors: kitchen db. J Comput Aided Mol Des. 2003 Oct;17(10):643-64. doi: 10.1023/b:jcam.0000017372.32162.37. J Comput Aided Mol Des. 2003. PMID: 15068364

10

Lead optimization toward proof-of-concept tools for Huntington's disease within a 4-(1H-pyrazol-4-yl)pyrimidine class of pan-JNK inhibitors.

Wityak J, McGee KF, Conlon MP, Song RH, Duffy BC, Clayton B, Lynch M, Wang G, Freeman E, Haber J, Kitchen DB, Manning DD, Ismail J, Khmelnitsky Y, Michels P, Webster J, Irigoyen M, Luche M, Hultman M, Bai M, Kuok ID, Newell R, Lamers M, Leonard P, Yates D, Matthews K, Ongeri L, Clifton S, Mead T, Deupree S, Wheelan P, Lyons K, Wilson C, Kiselyov A, Toledo-Sherman L, Beconi M, Muñoz-Sanjuan I, Bard J, Dominguez C. Wityak J, et al. Among authors: kitchen db. J Med Chem. 2015 Apr 9;58(7):2967-87. doi: 10.1021/jm5013598. Epub 2015 Mar 19. J Med Chem. 2015. PMID: 25760409

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