Flavors, fragrances and force fields: Using pharma methods to sniff for substitutes

Computational methods that analyze how drugs interact with protein targets are also effective for flavor and fragrance molecules.

• Applying pharmaceutical discovery methods to flavors and fragrances
• Molecular fields and virtual screening
• Utility of molecular fields for analyzing flavor and fragrance bioactivity
• Pharma potential
• When looking for new synthetic flavors or fragrances, the starting point could be an existing natural or synthetic compound, or a taste or odor receptor.

Read our article published in Chemistry Australia.

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The molecular fields around two caramels, ethyl maltol and furaneol. The surfaces show the shape (grey) and the positive (red) and negative (blue) electrostatic isopotentials, giving a ‘protein’s eye view’ of the compound.