(ii) A ligand will have to be designed that will fit the binding site; for this purpose the steric outline of the ligand should be complementary to the site and, therefore, these complementary features will have to be built in the ligand at appropriate positions. This should result in the maximum interactions between atoms of the ligand and the site, and is mainly achieved with the help of computer aided methods.
(iii) Once the ligand is designed to fit the binding site, ligand needs to be modified to have pharmacological and toxicological properties, while maintaining its affinity for the binding site. This and the above step (ii) will require three dimensional constructions. Computers have provided methods which will allow automated site directed drug designing.
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