Conclusion

Biostructure-based drug design is being used to efficiently develop new therapeutic candidates and incorporates multiple scientific disciplines, including medicinal chemistry, pharmacology, structural biology, and computer modeling.

The examples described earlier illustrate that biostructure-based drug design in cases where structural information of the targets is available is a powerful method for the design of new or improved drugs.

The DuPont Merck example on biostructure-based design of the cyclic urea HIV-1 protease inhibitors nicely illustrates that in many cases it is possible based on the 3D structures of a target to design ligands to control or regulate a biological system. Unfortunately, the example also illustrates that several other features have to be considered in order for a ligand to become a successful drug.

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