New Receptor Screening with Chem-X

Selecting the right molecules for high-throughput screening (HTS) is a
challenge which can now be addressed with Chem-X's innovative approach to
lead generation. Many organizations have large databases of compounds
available for use in HTS and manual selection of compound, including
modeling studies, is typically slow and costly. Chem-X is the only product
which can rapidly select multiple compounds from a large corporate or
commercial database based on their ability to dock in a particular
receptor.

With the marked increase in known protein structures, derived by X-ray or
NMR methods, the structure of the receptor site responsible for a
particular physiological response is commonly well-defined. Chem-X
identifies the ways in which small molecule ligands may interact at the
receptor site. Each interaction model is stored as a receptor
pharmacophore in a database. The pharmacophores may then be used as
queries to search a 3D database or as templates for de novo molecule
building.

Chemical Design's pioneering pharmacophore technology is already achieving
success in generating new product leads by 3D database searching. The same
pharmacophore technology is used to dock the ligands found by the database
search using a receptor pharmacophore query. Chem-X automatically docks
all ligands in memory into the receptor, performing a flexible fit to
accommodate conformational freedom.

Fully integrated in Chem-X, the exciting new receptor pharmacophores open
alternative routes to efficient lead generation and optimization via de
novo structure generation, searching of in-house databases or supplier
catalogs, and combinatorial chemistry.

Chemical Design Inc.
200 Route 17 South, Suite 120
Mahwah, NJ 07430
Tel: (201) 529-3323
Fax: (201) 529 2443
 
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