Computational drug design applied to the study of metabotropic glutamate receptors

Claudia Llinas del Torrent, Laura Pérez-Benito, Gary Tresadern

    Research output: Contribution to journalReview articleResearchpeer-review

    5 Citations (Scopus)

    Abstract

    © 2019 by the authors. Metabotropic glutamate (mGlu) receptors are a family of eight GPCRs that are attractive drug discovery targets to modulate glutamate action and response. Here we review the application of computational methods to the study of this family of receptors. X-ray structures of the extracellular and 7-transmembrane domains have played an important role to enable structure-based modeling approaches, whilst we also discuss the successful application of ligand-based methods. We summarize the literature and highlight the areas where modeling and experiment have delivered important understanding for mGlu receptor drug discovery. Finally, we offer suggestions of future areas of opportunity for computational work.
    Original languageEnglish
    Article number1098
    JournalMolecules
    Volume24
    Issue number6
    DOIs
    Publication statusPublished - 20 Mar 2019

    Keywords

    • Allosteric modulator
    • GPCR
    • Homology model
    • Ligand-based design
    • MGlu
    • MGluR
    • Molecular dynamics
    • Structure-based design
    • Virtual screening

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