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From Molecular Shape to Potent Bioactive Agents II: Fragment‐Based de novo Design
Author(s) -
Proschak Ewgenij,
Sander Kerstin,
Zettl Heiko,
Tanrikulu Yusuf,
Rau Oliver,
Schneider Petra,
SchubertZsilavecz Manfred,
Stark Holger,
Schneider Gisbert
Publication year - 2009
Publication title -
chemmedchem
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.817
H-Index - 100
eISSN - 1860-7187
pISSN - 1860-7179
DOI - 10.1002/cmdc.200800314
Subject(s) - fragment (logic) , computational biology , drug discovery , combinatorial chemistry , chemistry , agonist , stereochemistry , nanotechnology , computer science , biology , biochemistry , receptor , materials science , algorithm
Fragment‐based drug design : Computer‐assisted molecular design has emerged as a valuable tool for lead discovery. We present the successful de novo design, synthesis, and testing of a PPAR agonist using a novel fragment‐based compound assembly strategy.
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