3D-QSAR analysis of benzimidazole inhibitors of interleukin-2 inducible T cell kinase (ITK) considering receptor flexibility and water importance for molecular alignment-Reference-Cited by-同舟云学术

3D-QSAR analysis of benzimidazole inhibitors of interleukin-2 inducible T cell kinase (ITK) considering receptor flexibility and water importance for molecular alignment

Published:2013-03-03 Issue:11 Volume:22 Page:5578-5587
ISSN:1054-2523
Container-title:Medicinal Chemistry Research
language:en
Short-container-title:Med Chem Res

Author:

Bahia Malkeet Singh,Silakari Om

Publisher

Springer Science and Business Media LLC

Subject

Organic Chemistry,General Pharmacology, Toxicology and Pharmaceutics

Link

http://link.springer.com/content/pdf/10.1007/s00044-013-0548-x.pdf

Reference28 articles.

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3. Cook BN, Bentzien J, White A, Nemoto PA, Wang J, Man CC, Soleymanzadeh F, Khine HH, Kashem MA, Kugler SZ, Wolak JP, Roth GP, De Lombaert S, Pullen SS, Takahashi H (2009) Discovery of potent inhibitors of interleukin-2 inducible T-cell kinase (ITK) through structure-based drug design. Bioorg Med Chem Lett 19:773–777

4. Das J, Furch JS, Liu C, Moquin RV, Lin J, Spergel SH, McIntyre KW, Shuster DJ, O’Day KD, Penhallow B, Hung CY, Doweyko AM, Kamath A, Zhang H, Marathe P, Kanner SB, Lin TA, Dodd JH, Barrish JC, Wityak J (2006a) Discovery and SAR of 2-amino-5-(thioaryl)thiazoles as potent and selective ITK inhibitors. Bioorg Med Chem Lett 16:3706–3712

5. Das J, Liu C, Moquin RV, Lin J, Furch JA, Spergel SH, Doweyko AM, McIntyre KW, Shuster DJ, O’Day KD, Penhallow B, Hung CY, Kanner SB, Lin TA, Dodd JH, Barrish JC, Wityak J (2006b) Discovery and SAR of 2-amino-5-[(thiomethyl)aryl]thiazoles as potent and selective ITK inhibitors. Bioorg Med Chem Lett 16:2411–2415

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