Discovery of new anticancer drugs by computer-aided drug design.
BACKGROUND
Determination of the three-dimensional molecular structures of proteins, enzymes and nucleic acids is the first step in the development of molecular models of drug-receptor complexes that may be used in the rational computer-aided design of new and sometimes novel inhibitors with altered recognition and receptor-affinity properties.


CONCLUSIONS
This approach provides a rational method for developing drugs that may be highly selective for a particular oncogene or other protein targets.
Neidle
S
S
CRC Biomolecular Structure Unit, Institute of Cancer Research, Sutton, Surrey, U.K.
D000970:Antineoplastic Agents / Q000494:pharmacology*; D003198:Computer Simulation; D017076:Computer-Aided Design; D018360:Crystallography, X-Ray; D015195:Drug Design; D006801:Humans; D046911:Macromolecular Substances; D009363:Neoplasm Proteins / Q000187:drug effects; D009857:Oncogenes / Q000187:drug effects
D000970:Antineoplastic Agents; D046911:Macromolecular Substances; D009363:Neoplasm Proteins