Virtual screening and zebrafish models in tandem, for drug discovery and development

Abstract

ABSTRACT Introduction The combination of Virtual Screening (VS) techniques with in vivo screening in the zebrafish model is currently being used in tandem for drug development in a faster and more efficient way. Areas covered We review the different virtual screening techniques, the use of zebrafish as a vertebrate model for drug discovery and the synergy that exists between them. Expert opinion We highlight the advantages of combining virtual and zebrafish larvae screening for drug discovery. On the one hand, VS is a faster and cheaper tool for searching active compounds and possible candidates for therapy than in vivo screening when processing large compound libraries. On the other hand, zebrafish larvae form a vertebrate model that allows in vivo screening of large amounts of the compounds. Importantly, physiology and chemical response are mostly conserved between zebrafish and mammals. The availability of the transgenic and mutant zebrafish lines allows an analysis of a specific phenotype upon treatment, along with toxicity, off-target effect, side effects, and dosage. The advantages of VS, in vivo whole animal approach screening, and the screening combinations are also reviewed.