journal article May 27, 2005

A Virtual Screening Approach for Thymidine Monophosphate Kinase Inhibitors as Antitubercular Agents Based on Docking and Pharmacophore Models

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References
35
[1]
Bajorath J Nat. Rev. Drug Discovery (2002) 10.1038/nrd941
[2]
Lyne P. D Drug Discovery Today (2002)
[3]
Xue L. J. Chem. Inf. Comput. Sci. (2004)
[4]
Sirois S. J. Chem. Inf. Comput. Sci. (2004) 10.1021/ci034270n
[5]
Debnath A. K J. Med. Chem. (2002) 10.1021/jm010360c
[6]
Srinivasan J. J. Med. Chem. (2002) 10.1021/jm010494q
[7]
Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings

Christopher A. Lipinski, Franco Lombardo, Beryl W. Dominy et al.

Advanced Drug Delivery Reviews 1997 10.1016/s0169-409x(96)00423-1
[8]
Schneider G. Drug Discovery Today (2002) 10.1016/s1359-6446(01)02091-8
[9]
Krovat E. M. J. Chem. Inf. Comput. Sci. (2004) 10.1021/ci0342728
[10]
Verdonk M. L. J. Chem. Inf. Comput. Sci. (2004) 10.1021/ci034289q
[11]
Taylor R. D. J. Comput.-Aided Mol. Des. (2002) 10.1023/a:1020155510718
[12]
Grüneberg S. J. Med. Chem. (2002) 10.1021/jm011112j
[13]
Steindl T. J. Chem. Inf. Comput. Sci. (2004) 10.1021/ci049844i
[14]
Stokstad E. Science (2000) 10.1126/science.287.5462.2391a
[15]
Dye C. Science (2002)
[16]
Haouz A. J. Biol. Chem. (2003) 10.1074/jbc.m209630200
[17]
Lavie A. Proc. Natl. Acad. Sci. U.S.A. (1998) 10.1073/pnas.95.24.14045
[18]
Ostermann N. Biochemistry (2003) 10.1021/bi027302t
[19]
Vanheusden V. J. Med. Chem. (2003) 10.1021/jm021108n
[20]
Pochet S. ChemBioChem (2003) 10.1002/cbic.200300608
[21]
Sierra L. D. L. J. Mol. Biol. (2001)
[22]
Vanheusden V. Bioorg. Med. Chem. Lett. (2002) 10.1016/s0960-894x(02)00551-6
[23]
Vanheusden V. Bioorg. Med. Chem. Lett. (2003) 10.1016/s0960-894x(03)00643-7
[24]
Cerius
[25]
Insight II (1997)
[26]
GOLD
[27]
Development and validation of a genetic algorithm for flexible docking 1 1Edited by F. E. Cohen

Gareth Jones, Peter Willett, Robert C Glen et al.

Journal of Molecular Biology 1997 10.1006/jmbi.1996.0897
[28]
Catalyst
[29]
Smellie A. J. Comput. Chem. (1995) 10.1002/jcc.540160205
[30]
Güner O. F. (2000)
[31]
Lommerse J. P. M. J. Am. Chem. Soc. (1996)
[32]
Auffinger P. Proc. Natl. Acad. Sci. U.S.A. (2004) 10.1073/pnas.0407607101
[33]
Steinrauf L. K. J. Biol. Chem. (1993)
[34]
Hydrogen Bonding in Biological Structures

George A. Jeffrey, Wolfram Saenger

1991 10.1007/978-3-642-85135-3
[35]
Sarkhel S. Proteins (2004) 10.1002/prot.10567
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Details
Published
May 27, 2005
Vol/Issue
45(4)
Pages
1101-1108
Cite This Article
B. Gopalakrishnan, V. Aparna, J. Jeevan, et al. (2005). A Virtual Screening Approach for Thymidine Monophosphate Kinase Inhibitors as Antitubercular Agents Based on Docking and Pharmacophore Models. Journal of Chemical Information and Modeling, 45(4), 1101-1108. https://doi.org/10.1021/ci050064z
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