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Physics at the Biomolecular Interface pp 267–304Cite as

Epistructural Informatics for the Drug Designer

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Part of the book series: Soft and Biological Matter ((SOBIMA))

Abstract

The dehydron-based re-engineering of kinase inhibitor Gleevec to make it a safer drug (Chap. 9) illustrated the power of epistructural physics as enabler of a novel platform for drug design. As shown in this bioinformatics chapter, epistructural analysis provides a universal selectivity filter, applicable to the entire human kinome and its idiosyncratic variations. A kinome-wide bioinformatics analysis reveals that epistructure-based design heralds a new generation of drugs that enable a tighter control of specificity and a personalization of the treatment. The universality of this selectivity filter in the field of therapeutic interference with cell signaling is thus revealed.

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Authors and Affiliations

  1. National Research Council (CONICET), Buenos Aires, Argentina

    Ariel Fernández (Former Hasselmann Professor of Engineering)

  2. Rice University, Houston, USA

    Ariel Fernández (Former Hasselmann Professor of Engineering)

Authors
  1. Ariel Fernández
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© 2016 Springer International Publishing Switzerland

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Fernández, A. (2016). Epistructural Informatics for the Drug Designer. In: Physics at the Biomolecular Interface. Soft and Biological Matter. Springer, Cham. https://doi.org/10.1007/978-3-319-30852-4_10

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