SuperNatural: A Database of Available Natural Compounds

Melanie Füllbeck, Mathias Dunkel and Robert Preissner, Charité-Medical Faculty Berlin

Date Posted: Thursday, June 21, 2007

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Abstract
The majority of marketed drugs are natural compounds or derivatives thereof. The compounds' availability is often unclear. Therefore we have compiled a database of ~50,000 natural compounds from different suppliers. Starting point for in silico screenings are about 2,500 well-known, classified natural compounds or imported molecules. Possible medical applications can be detected and about three million conformers are computed to account for the flexibility during usage of the 3D-superposition algorithm.

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