Molecular design software speeds discovery of peptidomimetic drugs

Researchers at San Diego, CA-based Alanex Corp have developed a collection of software tools to guide in the design of new compounds that mimic the action of peptides. The Alanet software tools determine the spatial orientation of key chemical groups on a ligand interacting with a receptor, and then proceed to design a molecule that preserves these vital characteristics. Working through an artificial neural network, the system analyzes the analogs and extracts structural information from them. Favorable drug leads could emerge within a few months, compared to the usual several years needed to achieve such advances. Using this technology, Alanex have created a new class of small-molecule drugs based on the neurotransmitter NPY.