Lead identification

The objective of this phase is to identify a chemical structure that has some activity against the molecular target. This may be done in two ways. The first way involves large, chemically diverse libraries being screened in automated, high-throughput assays. Here, both chemical diversity and speed can be increased by combinatorial chemistry, which uses robotic synthesis. The second way involves rational design based on a known substrate or ligand, or alternatively an X-ray crystallographic or NMR structure of the target itself.

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