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Computer modeling of spike ACE2 interactions for the development of therapeutic proteins

Grant number: unknown

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Key facts

  • Disease

    COVID-19

  • Start & end year

    2020
    2020

  • Known Financial Commitments (USD)

    $26,756.23

  • Funder

    WWTF Austria

  • Principal Investigator

    Chris Oostenbrink

  • Research Location

    Austria

  • Lead Research Institution

    University of Natural Resources and Life Sciences, Vienna

  • Research Priority Alignment

    N/A

  • Research Category

    Pathogen: natural history, transmission and diagnostics

  • Research Subcategory

    Pathogen morphology, shedding & natural history

  • Special Interest Tags

    N/A

  • Study Type

    Non-Clinical

  • Clinical Trial Details

    N/A

  • Broad Policy Alignment

    Pending

  • Age Group

    Not Applicable

  • Vulnerable Population

    Not applicable

  • Occupations of Interest

    Not applicable

Abstract

The first interaction of SARS-CoV-2 with human cells results from a protein-protein interaction between the SARS-CoV-2 spike protein and the human ACE2 receptor. Promising new pharmaceuticals are based on soluble versions of the ACE2 receptor, which may block the virus proteins and prevent the cells from interacting with human ACE2. The researchers created a complete model of the spike-ACE2 interaction with full glycosylation. The model confirms that the sugar chains can play an important role in the interaction. In particular, there is evidence that removing the N90 glycan enhances the interaction. This offers possibilities to construct the therapeutic proteins in such a way that that they show stronger interactions with Spike and are therefore more effective. The project will create computer models of spike ACE2 interactions with different variants of ACE2. This includes species-specific variations (mouse ACE2 does not interact with spike), naturally occurring genetic modifications, and alternative therapeutic formats.