Exploring the chemogenomic knowledge space with annotated chemical libraries.
The recent human genome initiatives have led to the discovery of a multitude of genes that are potentially associated with various pathologic conditions and, thus, have opened new horizons in drug discovery. Simultaneously, annotated chemical libraries have emerged as information-rich databases to integrate biological and chemical data. They can be useful for the discovery of new pharmaceutical leads, the validation of new biotargets and the determination of the structural basis of ligand selectivity within target families. Annotated libraries provide a strong information basis for computational design of target-directed combinatorial libraries, which are a key component of modern drug discovery. Today, the rational design of chemical libraries enhanced with chemogenomics data is a new area of progressive research.
Savchuk
Nikolay P
NP
Chemical Diversity Labs, Inc., 11558 Sorrento Valley Road, San Diego, California 92121, USA. ns@chemdiv.com
Balakin
Konstantin V
KV
Tkachenko
Sergey E
SE
D020650:Combinatorial Chemistry Techniques / Q000379:methods*; D003198:Computer Simulation; D016208:Databases, Factual / Q000639:trends*; D015195:Drug Design; D004353:Drug Evaluation, Preclinical / Q000379:methods*; D006801:Humans; D008024:Ligands
D008024:Ligands