TRP Channels pp 187-206 | Cite as

In Silico Approaches for TRP Channel Modulation

  • Magdalena Nikolaeva Koleva
  • Gregorio Fernandez-BallesterEmail author
Part of the Methods in Molecular Biology book series (MIMB, volume 1987)


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.

Key words

TRP channel modulation Pharmacology In silico drug discovery Homology models Virtual screening Computational approaches Peptide design Structure-based design 



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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Copyright information

© Springer Science+Business Media, LLC, part of Springer Nature 2019

Authors and Affiliations

  • Magdalena Nikolaeva Koleva
    • 1
    • 2
  • Gregorio Fernandez-Ballester
    • 1
    Email author
  1. 1.Instituto de Investigación, Desarrollo e Innovación en Biotecnología Sanitaria de ElcheUniversitas Miguel HernándezElcheSpain
  2. 2.AntalGenics SL. Ed. Quorum III, University Scientific ParkUniversitas Miguel HernándezElcheSpain

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