Currently, there is no established technique that allows the function of a compound produced by nature to be predicted by looking at its 2-dimensional chemical structure.
Recently, we have demonstrated that site comparison methodology using flavonoid biosynthetic enzymes as the query could automatically identify structural features common to …
Aim: We question the level of detail required in protein 3D-representation to detect site similarity which is relevant for polypharmacology prediction.
Natural products are made by nature through interaction with biosynthetic enzymes.
Selectivity is a key factor in drug development.
Covering: up to the end of 2010 Natural products are made by nature through interaction with biosynthetic enzymes.