Journal of In Silico & In Vitro Pharmacology

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In-Silico Modelling In Drug Development

A variety of computational methods and tools are used in QSP and QST. They show different degrees of maturity.PBPK models are well established and applied in a wide variety of scenarios. Pharmacogenomics and toxicogenomics data are employed to gain mechanistic understanding. GSMN models allow easy integration of mechanistic knowledge. Multiscale and multi-component models constitute the frontier of the field.

The use and utility of computational models in drug development has significantly grown in the last decades, fostered by the availability of high throughput datasets and new data analysis strategies. These in silico approaches are demonstrating their ability to generate reliable predictions as well as new knowledge on the mode of action of drugs and the mechanisms underlying their side effects, altogether helping to reduce the costs of drug development. The aim of this review is to provide a panorama of developments in the field in the last two years.

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