INSILCO BINDING ANALYSIS OF MKP-1 INHIBITORS

Sukesh K.¹*, Lavanya C.², Balavinayagamani G.^3
1Department of Bioinformatics, Faculty of Engineering & Technology, School of Bioengineering, SRM University, Kattankulathur, 603203, Kancheepuram, Tamil Nadu, India.
²Department of Bioinformatics, SRM Arts and Science College, Kattankulathur, 603203, Kancheepuram, Tamil Nadu, India
³Department of Bioinformatics, SRM Arts and Science College, Kattankulathur, 603203, Kancheepuram, Tamil Nadu, India
* Corresponding Author : sukesh1411@gmail.com

Received : -     Accepted : -     Published : 21-12-2010
Volume : 2     Issue : 2       Pages : 61 - 66
Int J Bioinformatics Res 2.2 (2010):61-66
DOI : http://dx.doi.org/10.9735/0975-3087.2.2.61-66

Keywords : Rheumatoid arthritis, MKP-1 inhibitors, protein kinases, synthesized analogs, docking, active site
Conflict of Interest : None declared

Small cell-permeant inhibitors of protein kinases have become valuable reagents to investigate the physiological roles of protein kinases, because they can be used simply and rapidly to block endogenous kinase activity in normal cells and tissues, as well as transformed cell lines. There are no potent inhibitors of MKP-1, which dephosphorylates p38, JNK, and this is unfortunate because MKP-1 has been associated with human neoplasia and is an attractive potential therapeutic target. The active sites of MKP-1 were predicted and screened with synthesized analogs and related structures are obtained from PUBCHEM. The best hits were the analogs NU-126, NU-154 and these compounds were docked with the protein using AUTODOCK. MKP-1 constitutes an exciting, novel potential therapeutic target for Rheumatoid Arthritis. There is perfect active site information about the protein and selective inhibitor, so this docking work provides insights to develop new drug for the disease, rheumatoid arthritis.

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