Journal
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
Volume 12, Issue 4, Pages 2262-2274Publisher
MDPI AG
DOI: 10.3390/ijms12042262
Keywords
phenotypic screen; drug discovery; small molecules; drug design chemical genetics; model organisms
Funding
- NHLBI NIH HHS [R01 HL104040] Funding Source: Medline
- BLRD VA [I01 BX000771] Funding Source: Medline
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In this article we propose a systematic development method for rational drug design while reviewing paradigms in industry, emerging techniques and technologies in the field. Although the process of drug development today has been accelerated by emergence of computational methodologies, it is a herculean challenge requiring exorbitant resources; and often fails to yield clinically viable results. The current paradigm of target based drug design is often misguided and tends to yield compounds that have poor absorption, distribution, metabolism, and excretion, toxicology (ADMET) properties. Therefore, an in vivo organism based approach allowing for a multidisciplinary inquiry into potent and selective molecules is an excellent place to begin rational drug design. We will review how organisms like the zebrafish and Caenorhabditis elegans can not only be starting points, but can be used at various steps of the drug development process from target identification to pre-clinical trial models. This systems biology based approach paired with the power of computational biology; genetics and developmental biology provide a methodological framework to avoid the pitfalls of traditional target based drug design.
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