A knowledge-based informatics strategy (database construction, curation, mining, etc.) and physics-based molecular modelling and simulation tools (derived from computational biophysics) for biopharmaceuticals are combined in biopharmaceutical informatics. It is a multidisciplinary field that promotes growth. It is yet too early to give a precise description of biopharmaceutical informatics, as is the case with many other new scientific and technological fields. A computational effort called biopharmacy informatics, either by itself or in conjunction with experimental studies, aims to speed up and reduce the cost of turning biopharmaceutical candidates into medicines. In this article, calculations aimed at foretelling the location of chemical degradation of potential biopharmaceutical candidates are described. Case examples will be used to discuss the processes involved in aspartic acid isomerization, asparagine deamidation, lysine saccharification, and methionine oxidation in particular.
- Pre-clinical immunogenicity risk assessment of biotherapeutics
- Applications of computation in biologic drug development
- Physics-based molecular modelling
- Protein sequence-structural contexts and degradation reaction mechanisms
- Derisking biopharmaceutical development
- Creation of databases
- Data mining