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Current methods for site-directed structure generation

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Summary

There has been a rapid growth of interest in techniques for site-directed drug design, fuelled by the increasing availability of structural models of proteins of therapeutic importance, and by studies reported in the literature showing that potent chemical leads can be obtained by these techniques. Structure generation programs offer the prospect of discovering highly original lead structures from novel chemical families. Due to the fact that this technique is more-or-less still in its infancy, there are no case studies available that demonstrate the use of structure generation programs for site-directed drug design. Such programs were first proposed in 1986, and became commercially available in early 1992. They have shown their ability to reproduce, or suggest reasonable alternatives for, ligands in well-defined binding sites. This brief review will discuss the recent advances that have been made in the field of site-directed structure generation.

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Authors and Affiliations

  1. Dagenham Research Centre, Rhóne-Poulenc Rorer Ltd., RM10 7XS, Dagenham, Essex, U.K.

    Richard A. Lewis

  2. Department of Chemistry, University of Southampton, Highfield, SO9 5NH, Southampton, U.K.

    Andrew R. Leach

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  1. Richard A. Lewis
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  2. Andrew R. Leach
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Lewis, R.A., Leach, A.R. Current methods for site-directed structure generation. J Computer-Aided Mol Des 8, 467–475 (1994). https://doi.org/10.1007/BF00125381

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  • DOI: https://doi.org/10.1007/BF00125381

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