Structure-based virtual screening approach to the discovery of novel PTPMT1 phosphatase inhibitors

Bioorganic and Medicinal Chemistry Letters

Volumn 22, Issue 2, 2012, Pages 1271-1275

  Park, Hwangseo ^a   Kim, Song Yi ^b   Kyung, Ayoung ^b   Yoon, Tae Sung ^b   Ryu, Seong Eon ^c   Jeong, Dae Gwin ^b  

^a Sejong University   (South Korea)

^b Korea Research Institute of Bioscience and Biotechnology (KRIBB)   (South Korea)

^c Hanyang University   (South Korea)

Author keywords

Antidiabetic agents; Docking; Inhibitor; PTPMT1; Virtual screening

Indexed keywords

PROTEIN PTPMT1; PROTEIN TYROSINE PHOSPHATASE; PROTEIN TYROSINE PHOSPHATASE INHIBITOR; PROTEIN TYROSINE PHOSPHATASE LOCALIZED TO MITOCHONDRION 1 INHIBITOR; UNCLASSIFIED DRUG;

ARTICLE; BINDING AFFINITY; DRUG DESIGN; DRUG STRUCTURE; ENZYME INHIBITION; HYDROGEN BOND; HYDROLYSIS; IC 50; PHYSICAL CHEMISTRY; PROTON TRANSPORT; STRUCTURE ACTIVITY RELATION;

COMPUTER-AIDED DESIGN; CRYSTALLOGRAPHY, X-RAY; DOSE-RESPONSE RELATIONSHIP, DRUG; DRUG DISCOVERY; ENZYME INHIBITORS; HUMANS; MODELS, MOLECULAR; MOLECULAR STRUCTURE; PTEN PHOSPHOHYDROLASE; STRUCTURE-ACTIVITY RELATIONSHIP;

EID: 84855675692     PISSN: 0960894X     EISSN: 14643405     Source Type: Journal    
DOI: 10.1016/j.bmcl.2011.10.083     Document Type: Article

References (17)

1. K.I. Patterson, T. Brummer, P.M. O'Brien, and R.J. Daly Biochem. J. 418 2009 475
2. D.J. Pagliarini, C.A. Worby, and J.E. Dixon J. Biol. Chem. 279 2004 38590
3. D.J. Pagliarini, S.E. Wiley, M.E. Kimple, J.R. Dixon, P. Kelly, C.A. Worby, P.J. Casey, and J.E. Dixon Mol. Cell. 19 2005 197
4. J. Xiao, J.L. Engel, J. Zhang, M.J. Chen, G. Manning, and J.E. Dixon Proc. Natl. Acad. Sci. U.S.A. 108 2011 11860
5. PDB code for human PTPMT1 is 3TB1.
6. D. Doughty-Shenton, J.D. Joseph, J. Zhang, D.J. Pagliarini, Y. Kim, D. Lu, J.E. Dixon, and P.J. Casey J. Pharmacol. Exp. Ther. 333 2010 584
7. W.P. Walters, and M.A. Murcko Adv. Drug Delivery Rev. 54 2002 255
8. B.K. Shoichet, A.R. Leach, and I.D. Kuntz Proteins 34 1999 4
9. G.A. Jeffrey An introduction to hydrogen bonding 1997 Oxford University Press Oxford
10. C.A. Lipinski, F. Lombardo, B.W. Dominy, and P.J. Feeney Adv. Drug Delivery Rev. 23 1997 3
11. J. Gasteiger, and M. Marsili Tetrahedron 36 1980 3219
12. G.M. Morris, D.S. Goodsell, R.S. Halliday, R. Huey, W.E. Hart, R.K. Belew, and A.J. Olson J. Comput. Chem. 19 1998 1639
13. H. Park, J. Lee, and S. Lee Proteins 65 2006 549
14. H. Park, and J.H. Jeon Phys. Rev. E 75 2007 021916
15. P.F.W. Stouten, C. Frömmel, H. Nakamura, and C. Sander Mol. Simul. 10 1993 97
16. H. Kang, H. Choi, and H. Park J. Chem. Inf. Model. 47 2007 509
17. A.J. Ryan, N.M. Gray, P.N. Lowe, and C.-W. Chung J. Med. Chem. 46 2003 3448