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Science. 1992 Aug 21;257(5073):1078-82.

Structure-based strategies for drug design and discovery.

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1
Department of Pharmaceutical Chemistry, School of Pharmacy, University of California, San Francisco 94143.

Abstract

Most drugs have been discovered in random screens or by exploiting information about macromolecular receptors. One source of this information is in the structures of critical proteins and nucleic acids. The structure-based approach to design couples this information with specialized computer programs to propose novel enzyme inhibitors and other therapeutic agents. Iterated design cycles have produced compounds now in clinical trials. The combination of molecular structure determination and computation is emerging as an important tool for drug development. These ideas will be applied to acquired immunodeficiency syndrome (AIDS) and bacterial drug resistance.

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PMID:
1509259
DOI:
10.1126/science.257.5073.1078
[Indexed for MEDLINE]

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