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Structure‐Based Pharmacophore Screening for Natural‐Product‐Derived PPARγ Agonists
Author(s) -
Tanrikulu Yusuf,
Rau Oliver,
Schwarz Oliver,
Proschak Ewgenij,
Siems Karsten,
MüllerKuhrt Lutz,
SchubertZsilavecz Manfred,
Schneider Gisbert
Publication year - 2009
Publication title -
chembiochem
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.05
H-Index - 126
eISSN - 1439-7633
pISSN - 1439-4227
DOI - 10.1002/cbic.200800520
Subject(s) - pharmacophore , virtual screening , natural product , flexibility (engineering) , agonist , computational biology , computer science , combinatorial chemistry , fuzzy logic , chemistry , artificial intelligence , receptor , stereochemistry , biology , mathematics , biochemistry , statistics
A fuzzy feeling : We have identified a full agonist of PPARγ, as illustrated here, in a natural‐product‐derived combinatorial compound library by virtual screening. The “fuzzy” pharmacophore concept considers receptor flexibility and provides a straightforward route to finding novel lead structure candidates with minimal experimental effort.