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MIRATE: MIps RATional dEsign Science Gateway.

Mirko Busato1, Rosario Distefano2, Ferdia Bates3

  • 1Department of Biotechnology, University of Verona, Strada Le Grazie 15, 37134 Verona, Italy.

Journal of Integrative Bioinformatics
|June 14, 2018
PubMed
Summary
This summary is machine-generated.

Molecularly imprinted polymers (MIPs) offer an economical synthetic receptor alternative. MIRATE is a new platform simplifying MIPs design through integrated bioinformatics tools, aiding wet-laboratory synthesis.

Keywords:
dockingmolecularly imprinted polymersscience gateway

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Area of Science:

  • Polymer Chemistry
  • Bioinformatics
  • Materials Science

Background:

  • Molecularly imprinted polymers (MIPs) are synthetic receptors with high affinity and robustness.
  • MIPs offer a cost-effective alternative to biological receptors like antibodies.
  • Rational design using molecular modeling is crucial for efficient MIPs production.

Purpose of the Study:

  • To present MIRATE, an integrated science gateway for intelligent MIPs design.
  • To streamline the rational design process of MIPs.
  • To support and facilitate MIPs synthesis in wet-laboratory settings.

Main Methods:

  • Integration of state-of-the-art bioinformatics tools.
  • Development of automated and innovative design pipelines.
  • Customization options for each stage of MIPs design.

Main Results:

  • MIRATE provides a comprehensive platform for MIPs design.
  • The gateway guides users through virtual screening of functional monomers, monomer-template ratio optimization, and selectivity analysis.
  • The platform supports users from initial design to wet-laboratory synthesis.

Conclusions:

  • MIRATE enhances the rational design of molecularly imprinted polymers.
  • The integrated gateway simplifies complex MIPs design processes.
  • MIRATE facilitates the economically viable production of high-affinity synthetic receptors.