Bioinformatics platform development: from gene to lead compound

Methods Mol Biol. 2006;316:389-431. doi: 10.1385/1-59259-964-8:389.


In the past 10 yr, the field of bioinformatics has been characterized by the mapping of many genomes. These efforts have stimulated explosive development of novel bioinformatics and experimental approaches to predict the functions and metabolic role of the new proteins. The main application of the work is to search, validate, and prioritize new targets for designing a new generation of drugs. Modern computer and experimental methods for discovery of new lead compounds have also expanded and integrated into the process referred to as rational drug design. They are directed to accelerate and optimize the drug discovery process using experimental and virtual (computer-aided drug discovery) methods. Recently, these methods and approaches have merged into a "from gene to lead" platform that includes the processes from new target discovery through obtaining highly effective lead compounds. This chapter describes the strategies as employed by the "From Gene to Lead" platform, including the major computer and experimental approaches and their interrelationship. The latter part of the chapter contains some examples of the steps required for implementing this platform.

Publication types

  • Review

MeSH terms

  • Computational Biology / methods*
  • Computer-Aided Design
  • Databases, Genetic
  • Drug Design*
  • Genomics
  • Ligands
  • Models, Molecular
  • Structure-Activity Relationship


  • Ligands