Homology structure-based design

In this example, structure-based design of inhibitors to the mutant enzyme may be undertaken using available X-ray structures and homology models. 

In receptor structure-based design the operative word is structure. The success of the methodology is closely tied to the amount of structural information that is available. Although a receptor model derived from experimentally determined structures of homologous proteins is adequate, as was the case with renin, having an experimentally determined struc-... 

Shakespeare W, Yang M, Bohacek R (2001) Structure-based design of an osteoclast-selective, nonpeptide Src homology 2 inhibitor with in vivo antiresorptive activity. Proc Natl Acad Sci USA 97 9373-9378... 

Structure-Based Design Structure-based design is a design strategy for new chemical entities based on the three-dimensional (3D) structure of the target obtained by X-ray or nuclear magnetic resonance (NMR) studies, or from protein homology models. 

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