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In Silico Approaches for TRP Channel Modulation

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Book cover TRP Channels

Part of the book series: Methods in Molecular Biology ((MIMB,volume 1987))

Abstract

The implication of several TRP ion channels (e.g., TRPV1) in diverse physiological and pathological processes has signaled them as pivotal drug targets. Consequently, the identification of selective and potent ligands for these channels is of great interest in pharmacology and biomedicine. However, a major challenge in the design of modulators is ensuring the specificity for their intended targets. In recent years, the emergence of high-resolution structures of ion channels facilitates the computer-assisted drug design at molecular levels. Here we describe some computational methods and general protocols to discover channel modulators, including homology modelling, docking and virtual screening, and structure-based peptide design.

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Acknowledgments

This work was supported by the Agencia Estatal de Investigación (AEI, MINECO) (SAF2016-66275-C02-01) and Generalitat Valenciana PROMETEO/2014/011. MNK is a recipient of an Industrial Doctorate Fellowship from MINECO (DI-16-08303).

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Authors and Affiliations

  1. Instituto de Investigación, Desarrollo e Innovación en Biotecnología Sanitaria de Elche, Universitas Miguel Hernández, Elche, Spain

    Magdalena Nikolaeva Koleva & Gregorio Fernandez-Ballester

  2. AntalGenics SL. Ed. Quorum III, University Scientific Park, Universitas Miguel Hernández, Elche, Spain

    Magdalena Nikolaeva Koleva

Authors
  1. Magdalena Nikolaeva Koleva
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  2. Gregorio Fernandez-Ballester
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Correspondence to Gregorio Fernandez-Ballester .

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Editors and Affiliations

  1. Instituto de Biología, Molecular y Celular, Universidad Miguel Hernández, Elche, Alicante, Spain

    Antonio Ferrer-Montiel

  2. Experimental Anesthesiology and Pain Research, Department of Anesthesiology and Intensive Care Medicine, University Hospital Cologne, University of Cologne, Cologne, Germany

    Tim Hucho

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Nikolaeva Koleva, M., Fernandez-Ballester, G. (2019). In Silico Approaches for TRP Channel Modulation. In: Ferrer-Montiel, A., Hucho, T. (eds) TRP Channels. Methods in Molecular Biology, vol 1987. Humana, New York, NY. https://doi.org/10.1007/978-1-4939-9446-5_12

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  • DOI: https://doi.org/10.1007/978-1-4939-9446-5_12

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  • Publisher Name: Humana, New York, NY

  • Print ISBN: 978-1-4939-9445-8

  • Online ISBN: 978-1-4939-9446-5

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