Molecular Dynamics Use in Personalized Cancer Medicine - Example of MET Y501C Mutation

Igor F. Tsigelny, Razelle Kurzrock, Åge Aleksander Skjevik, Valentina L. Kouznetsova, Sadakatsu Ikeda

Abstract

We explored a possible new method for prediction of activating mutations in cancer-related proteins. This method is based on elucidation of flexibility of proteins associated in activating complexes. Based on the theory of intermediate binding complexes, the binding process is not only related to the three-dimensional structure of proteins, but also to the four-dimensional set of possible conformations allowed by the flexible regions of the involved members of the associated complex. Using molecular dynamics simulations, we found that an Y501C mutation in the MET gene might activate it. Using this information, a specific drug that functioned as a potent MET inhibitor was prescribed and had a salutary impact on the tumor.

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Paper Citation


in Harvard Style

F. Tsigelny I., Kurzrock R., Aleksander Skjevik Å., L. Kouznetsova V. and Ikeda S. (2016). Molecular Dynamics Use in Personalized Cancer Medicine - Example of MET Y501C Mutation . In Proceedings of the 6th International Conference on Simulation and Modeling Methodologies, Technologies and Applications - Volume 1: SIMULTECH, ISBN 978-989-758-199-1, pages 71-74. DOI: 10.5220/0005959500710074


in Bibtex Style

@conference{simultech16,
author={Igor F. Tsigelny and Razelle Kurzrock and Åge Aleksander Skjevik and Valentina L. Kouznetsova and Sadakatsu Ikeda},
title={Molecular Dynamics Use in Personalized Cancer Medicine - Example of MET Y501C Mutation},
booktitle={Proceedings of the 6th International Conference on Simulation and Modeling Methodologies, Technologies and Applications - Volume 1: SIMULTECH,},
year={2016},
pages={71-74},
publisher={SciTePress},
organization={INSTICC},
doi={10.5220/0005959500710074},
isbn={978-989-758-199-1},
}


in EndNote Style

TY - CONF
JO - Proceedings of the 6th International Conference on Simulation and Modeling Methodologies, Technologies and Applications - Volume 1: SIMULTECH,
TI - Molecular Dynamics Use in Personalized Cancer Medicine - Example of MET Y501C Mutation
SN - 978-989-758-199-1
AU - F. Tsigelny I.
AU - Kurzrock R.
AU - Aleksander Skjevik Å.
AU - L. Kouznetsova V.
AU - Ikeda S.
PY - 2016
SP - 71
EP - 74
DO - 10.5220/0005959500710074