Chemogenomics: Systematization of Drug Discovery
Edgar Jacoby · Burger's Medicinal Chemistry and Drug Discovery · 2010
Abstract Chemogenomics aims toward the systematic identification of small molecules that interact with the products of the genome and modulate their biological function. The establishment and expansion of a comprehensive ligand–target SAR (structure–activity relationship) matrix is following the elucidation of the human genome a key scientific challenge for the twenty‐first century. The annotation and knowledge‐based exploration of the ligand–target SAR matrix is then expected to impact. Progress alongside this challenge without doubt in first place will contribute to further the fundamental understanding of the biological function of the individual proteins and ultimately provide a basis for the discovery of new and better therapies for diseases. While historically the chemogenomics approach is based on efforts that systematically explore target gene families, today broader in vitro and in silico approaches are available to encompass wider genomes. Herein, we review relevant aspects of chemistry, biology, and molecular informatics that are the cornerstones of chemogenomics. The focus will be on the protein world; other gene products, such as RNA (1), or whole organism phenotypic readouts (2) will not be addressed.