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J Comput Aided Mol Des. 2012 Jan;26(1):137-50. doi: 10.1007/s10822-011-9519-9. Epub 2012 Jan 18.

Drug design for ever, from hype to hope.

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  • 1Adelard Institute, Manchester, UK.

Abstract

In its first 25 years JCAMD has been disseminating a large number of techniques aimed at finding better medicines faster. These include genetic algorithms, COMFA, QSAR, structure based techniques, homology modelling, high throughput screening, combichem, and dozens more that were a hype in their time and that now are just a useful addition to the drug-designers toolbox. Despite massive efforts throughout academic and industrial drug design research departments, the number of FDA-approved new molecular entities per year stagnates, and the pharmaceutical industry is reorganising accordingly. The recent spate of industrial consolidations and the concomitant move towards outsourcing of research activities requires better integration of all activities along the chain from bench to bedside. The next 25 years will undoubtedly show a series of translational science activities that are aimed at a better communication between all parties involved, from quantum chemistry to bedside and from academia to industry. This will above all include understanding the underlying biological problem and optimal use of all available data.

PMID:
22252446
[PubMed - indexed for MEDLINE]
PMCID:
PMC3268973
Free PMC Article

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