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A pharmacophore is the ensemble of steric and electronic features that is necessary to ensure the optimal supramolecular interactions with a specific biological target structure and to trigger (or to block) its biological response. A pharmacophore does not represent a real molecule or a real association of functional groups, but a purely abstract concept that accounts for the common molecular interaction capacities of a group of compounds towards their target structure.
The chemical features can be hydrogen bonds acceptors, hydrogen bond donors, charge interactions, hydrophobic areas, aromatic rings, positive or negative ionizable group.) The shape or volume is also considered.
Pharmacophores represent chemical functions, valid not only for the curretly bound, but also unknown molecules. The steric hindrance may explain lack of activity.
A pharmacophore is usually obtained by connecting the average spatial positions of the pharmacophoric points of all the molecules. But sometime, several binding site or flexible binding site.
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The global chemical industry is expected to grow from $4 trillion to $5.3 trillion by 2020. According to a 2011 report from Pike Research, Green Chemistry represents a market opportunity that will grow dramatically from $2.8 billion in 2011 to $98.5 billion by 2020. The same report also estimates that Green Chemistry is forecast to save industry $65.5 billion by 2020. a part of the $5.3 trillion US chemical industry.
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