Combination of Pharmacophores

There are two problems to consider when calculating 3D pharmacophores. First, unless the molecules are all completely rigid, one must take account of their conformational properties The second problem is to determine which combinations of pharmacophoric groups are common to the molecules and can be positioned in a similar orientation in space. More than one pharmacophore may be possible indeed, some algorithms can generate hundreds of possible pharmacophores, which must then be evaluated to determine which best fits the data. It is important to realise that all of these approaches to finding 3D pharmacophores assume that all of the molecules bind in a common manner to the macromolecule. 

A rare combination of pharmacophoric N-vinylpyrrole and indispensable amino acid moieties makes this novel class of amino acids important building blocks for drug design. Moreover, the presence of highly reactive N-vinyl group in molecules of the amino acids synthesized fundamentally extends their prospects in the aforementioned applications. 

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