Antibody informatics for drug discovery

Hiroki Shirai, Catherine Prades, Randi Vita, Paolo Marcatili, Bojana Popovic, Jianqing Xu, John P. Overington, Kazunori Hirayama, Shinji Soga, Kazuhisa Tsunoyama, Dominic Clark, Marie-Paule Lefranc, Kazuyoshi Ikeda

    Research output: Contribution to journalJournal articleResearchpeer-review


    More and more antibody therapeutics are being approved every year, mainly due to their high efficacy and antigen selectivity. However, it is still difficult to identify the antigen, and thereby the function, of an antibody if no other information is available. There are obstacles inherent to the antibody science in every project in antibody drug discovery. Recent experimental technologies allow for the rapid generation of large-scale data on antibody sequences, affinity, potency, structures, and biological functions; this should accelerate drug discovery research. Therefore, a robust bioinformatic infrastructure for these large data sets has become necessary. In this article, we first identify and discuss the typical obstacles faced during the antibody drug discovery process. We then summarize the current status of three sub-fields of antibody informatics as follows: (i) recent progress in technologies for antibody rational design using computational approaches to affinity and stability improvement, as well as ab-initio and homology-based antibody modeling; (ii) resources for antibody sequences, structures, and immune epitopes and open drug discovery resources for development of antibody drugs; and (iii) antibody numbering and IMGT. Here, we review “antibody informatics,” which may integrate the above three fields so that bridging the gaps between industrial needs and academic solutions can be accelerated. This article is part of a Special Issue entitled: Recent advances in molecular engineering of antibody.
    Original languageEnglish
    JournalBiochimica et Biophysica Acta - Proteins and Proteomics
    Issue number11
    Pages (from-to)2002-2015
    Number of pages14
    Publication statusPublished - 2014


    • Antibody informatics
    • Antibody modeling
    • Antibody database
    • Antibody numbering
    • Drug discovery


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