Current methods for site-directed structure generation View Full Text


Ontology type: schema:ScholarlyArticle     


Article Info

DATE

1994-08

AUTHORS

Richard A. Lewis, Andrew R. Leach

ABSTRACT

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. More... »

PAGES

467-475

References to SciGraph publications

  • 1994-06. Automated molecular design: A new fragment-joining algorithm in JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN
  • 1988-07. An investigation into the construction of molecular models by the template joining method in JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN
  • 1993-12. SPLICE: A program to assemble partial query solutions from three-dimensional database searches into novel ligands in JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN
  • 1990-06. Automated site-directed drug design: Approaches to the formation of 3D molecular graphs in JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN
  • 1993-02. GenStar: A method for de novo drug design in JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN
  • 1992-12. LUDI: rule-based automatic design of new substituents for enzyme inhibitor leads in JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN
  • 1992-02. The computer program LUDI: A new method for the de novo design of enzyme inhibitors in JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN
  • 1993-04. SPROUT: A program for structure generation in JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN
  • Identifiers

    URI

    http://scigraph.springernature.com/pub.10.1007/bf00125381

    DOI

    http://dx.doi.org/10.1007/bf00125381

    DIMENSIONS

    https://app.dimensions.ai/details/publication/pub.1009085971

    PUBMED

    https://www.ncbi.nlm.nih.gov/pubmed/7815098


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