Structure‐Based Pharmacophore Screening for Natural‐Product‐Derived PPARγ Agonists | Zendy

Tanrikulu Yusuf | Zendy; Rau Oliver | Zendy; Schwarz Oliver | Zendy; Proschak Ewgenij | Zendy; Siems Karsten | Zendy; MüllerKuhrt Lutz | Zendy; SchubertZsilavecz Manfred | Zendy; Schneider Gisbert | Zendy

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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.

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