Comput Math Methods Med - Structure-functional prediction and analysis of cancer mutation effects in protein kinases.

Tópicos

{ activ(1138) subject(705) human(624) }
{ cancer(2502) breast(956) screen(824) }
{ network(2748) neural(1063) input(814) }
{ sequenc(1873) structur(1644) protein(1328) }
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{ monitor(1329) mobil(1314) devic(1160) }
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Resumo

A central goal of cancer research is to discover and characterize the functional effects of mutated genes that contribute to tumorigenesis. In this study, we provide a detailed structural classification and analysis of functional dynamics for members of protein kinase families that are known to harbor cancer mutations. We also present a systematic computational analysis that combines sequence and structure-based prediction models to characterize the effect of cancer mutations in protein kinases. We focus on the differential effects of activating point mutations that increase protein kinase activity and kinase-inactivating mutations that decrease activity. Mapping of cancer mutations onto the conformational mobility profiles of known crystal structures demonstrated that activating mutations could reduce a steric barrier for the movement from the basal "low" activity state to the "active" state. According to our analysis, the mechanism of activating mutations reflects a combined effect of partial destabilization of the kinase in its inactive state and a concomitant stabilization of its active-like form, which is likely to drive tumorigenesis at some level. Ultimately, the analysis of the evolutionary and structural features of the major cancer-causing mutational hotspot in kinases can also aid in the correlation of kinase mutation effects with clinical outcomes.

Resumo Limpo

central goal cancer research discov character function effect mutat gene contribut tumorigenesi studi provid detail structur classif analysi function dynam member protein kinas famili known harbor cancer mutat also present systemat comput analysi combin sequenc structurebas predict model character effect cancer mutat protein kinas focus differenti effect activ point mutat increas protein kinas activ kinaseinactiv mutat decreas activ map cancer mutat onto conform mobil profil known crystal structur demonstr activ mutat reduc steric barrier movement basal low activ state activ state accord analysi mechan activ mutat reflect combin effect partial destabil kinas inact state concomit stabil activelik form like drive tumorigenesi level ultim analysi evolutionari structur featur major cancercaus mutat hotspot kinas can also aid correl kinas mutat effect clinic outcom

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