From 50 Million Compounds to Potential Sweeteners: An AI-Guided Search (IMAGE)
Caption
ISE learned the properties of known green (sweet) and red (bitter) compounds (top left) as well as the differences between their properties and those of most other chemicals. We produced computer models that enable us to identify sweet and bitter compounds in any database (round disks). The large number of 50 million compounds has been reduced by the ISE algorithm and molecular docking to the recently published structure of the human sweet receptor (called 9NOV in the Protein Data Bank, PDB, upper right), composed of two subunits (orange and blue) one of which is bound to sucralose (red and green ball presentation of atoms).
Credit
Goldblum Lab
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