Chemistry challenges in lead optimization: silicon isosteres in drug discovery

Drug Discov Today. 2003 Jun 15;8(12):551-6. doi: 10.1016/s1359-6446(03)02726-0.

Abstract

During the lead optimization phase of drug discovery projects, the factors contributing to subsequent failure might include poor portfolio decision-making and a sub-optimal intellectual property (IP) position. The pharmaceutical industry has an ongoing need for new, safe medicines with a genuine biomedical benefit, a clean IP position and commercial viability. Inherent drug-like properties and chemical tractability are also essential for the smooth development of such agents. The introduction of bioisosteres, to improve the properties of a molecule and obtain new classes of compounds without prior art in the patent literature, is a key strategy used by medicinal chemists during the lead optimization process. Sila-substitution (C/Si exchange) of existing drugs is an approach to search for new drug-like candidates that have beneficial biological properties and a clear IP position. Some of the fundamental differences between carbon and silicon can lead to marked alterations in the physicochemical and biological properties of the silicon-containing analogues and the resulting benefits can be exploited in the drug design process.

Publication types

  • Review

MeSH terms

  • Chemistry, Pharmaceutical / trends
  • Clinical Trials as Topic
  • Combinatorial Chemistry Techniques
  • Databases, Factual
  • Drug Design
  • Drug Industry / trends
  • Humans
  • Molecular Mimicry
  • Molecular Structure
  • Organosilicon Compounds / adverse effects
  • Organosilicon Compounds / chemistry*
  • Organosilicon Compounds / therapeutic use
  • Pharmaceutical Preparations / chemistry*
  • Silicon / chemistry*

Substances

  • Organosilicon Compounds
  • Pharmaceutical Preparations
  • Silicon