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The Therapeutic Antibody Profiler for Computational Developability Assessment.

Matthew I J Raybould1, Charlotte M Deane2

  • 1Oxford Protein Informatics Group, Department of Statistics, University of Oxford, Oxford, UK.

Methods in Molecular Biology (Clifton, N.J.)
|September 3, 2021
PubMed
Summary

Predicting therapeutic antibody developability is crucial. The Therapeutic Antibody Profiler (TAP) tool rapidly assesses antibody drug-likeness from sequence data, identifying candidates with potential developability issues early in design.

Keywords:
Antibody drug discoveryCharge patchesComputational developability assessmentDruglikenessHydrophobic patchesSurface physicochemistry

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Area of Science:

  • Biotechnology
  • Computational Biology
  • Immunology

Background:

  • Antibody developability encompasses critical properties like immunogenicity, solubility, and stability, essential for successful therapeutic antibody design.
  • Rapid and cost-effective prediction of these developability factors is vital for efficient industrial drug discovery workflows.
  • Identifying non-productive candidates early prevents resource misallocation in therapeutic antibody development.

Purpose of the Study:

  • To introduce the Therapeutic Antibody Profiler (TAP), a high-throughput computational tool for assessing antibody developability.
  • To enable rapid and inexpensive prediction of physicochemical drug-likeness for antibody candidates.
  • To provide a method for identifying potential developability issues in antibody drug candidates based solely on sequence information.

Main Methods:

  • The Therapeutic Antibody Profiler (TAP) tool converts antibody variable domain sequences into 3D structural models.
  • Five key developability-linked molecular surface descriptors are calculated from these models.
  • These calculated descriptors are compared against a reference set of advanced-stage clinical therapeutics.

Main Results:

  • The TAP tool assesses the physicochemical drug-likeness of antibody candidates.
  • Values of molecular surface descriptors falling outside the distribution of clinical therapeutics indicate a higher risk of developability problems.
  • The tool successfully identifies antibody sequences likely to exhibit poor developability.

Conclusions:

  • The Therapeutic Antibody Profiler (TAP) offers a rapid, sequence-based method for evaluating antibody developability.
  • Early identification of high-risk candidates using TAP can streamline therapeutic antibody design and development.
  • The web application provides a valuable resource for researchers by profiling antibody sequences against clinical therapeutic data.