Journal
JOURNAL OF MOLECULAR GRAPHICS & MODELLING
Volume 46, Issue -, Pages 74-82Publisher
ELSEVIER SCIENCE INC
DOI: 10.1016/j.jmgm.2013.09.009
Keywords
Rho-associated kinase; ROCK; Docking; PH domain
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Funding
- Norman Hackerman Advanced Research Program in the State of Texas
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Rho-associated kinase, or ROCK, is an important mediator of ventricular remodeling in cardiac hypertrophy. It has a kinase catalytic domain, a coiled-coil domain and a Pleckstrin-Homology domain (PH domain) with a C1 domain insert. The C-terminal region including the PH domain and C1 domain insert is involved in an autoregulatory role for ROCK. We sought to evaluate whether a self association complex could form using computational docking approaches. We found that both the PH domain and the C1 domain could dock with the catalytic domain and we further found that they could dock in poses that are complementary to each other forming a three domain complex. We also confirmed a binding response using a surface plasmon resonance experimental approach. Information about the regulation of ROCK might lead to new strategies to develop lead inhibitor compounds to modulate cardiac remodeling. (C) 2013 Elsevier Inc. All rights reserved.
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