Drug computer-based

The 1990s was a decade of fruition because the computer-based drug discovery work of the 1980s yielded an impressive number of new chemical entities reaching the pharmaceutical marketplace. We elaborate on this statement later in this section, but first we complete the story about supercomputers in the pharmaceutical industry. 

Olson EC, Christoffersen RE, editors. Computer-assisted drug design. Based on a symposium sponsored by the Divisions of Computers in Chemistry and Medicinal Chemistry at the ACS/CSJ Chemical Congress, Honolulu, Hawaii, April 2-6, 1979. ACS Symposium Series 112. Washington, DC American Chemical Society, 1979. 

With the advent of computer-aided-drug modeling (CADM) the critical, scientific and faster approach to newer drug entities based on the biologically active prototypes, combinatorial chemistry, chiral chemistry and biotechnology has paved the way towards more specific, potent and above all less toxic drugs to improve the ultimate quality of life in humans. 

Funatsu K. Miyao T. Arakawa M. Systematic generation of chemical structures for rational drug design based on QSAR models. Current Computer-Aided Drug Design, 2011, 7 (1), 1-9. 

Schneider G, Fechner U. Computer-based de novo design of drug-like molecules, Nature Reviews Drug Discovery 4 649-663 (2005). 

Dividing cells in culture exposed to vinblastine or vincristine are arrested from further growth during mitosis (12,13). In fact, the antimitotic effects of this class of compounds is ubiquitous. These effects are observed at relatively low concentrations (<1 iM), and are reversible when drug is removed from the media prior to lysis of the arrested cells. The concentration of drug required to elicit an antimitotic effect is usually comparable to that required to produce a cytotoxic effect in the same cell type (14,15). Originally, this type of analysis was exceedingly laborious, but the introduction of laser- and computer-based fluoresence activated cell sorters (FACS) has rendered this type of analysis routine. Nevertheless, a cytotoxic, non-cell cycle-specific bisindole alkaloid has yet to be discovered. 

Shimada J, Ekins S, Elkin C, Shaknovich El, Wery J-P (2002) Integrating computer-based de novo drug design and multidimensional filtering for desirable drugs. Targets 1, 196-205. 

Quantitative assessment of the potency of a drug s effect on an isolated tissue, cell, animal or man. Computer-based science of logging and comparing DNA sequences. 

Noble, D. and Colatsky, T. J. A return to rational drug discovery computer-based models of cells, organs and systems in drug target identification. Emerging Therapeutic Targets 2000, 4 39 49. 

In addition to the publications dealing with ingredients, there are also publications dealing with nomenclature (e.g., United States Approved Name (USAN) and USP Dictionary of Drug Names), information indexing (e.g., Index Medicus, National Library of Medicine), and information retrieval (e.g., computer-based Medical Literature Analysis and Retrieval System MEDLARS and MEDLINE, National Library of Medicine). 

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