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Structure–Activity Relationships by NMR: A New Procedure for Drug Discovery by a Combinatorial–Rational Approach
Author(s) -
Kessler Horst
Publication year - 1997
Publication title -
angewandte chemie international edition in english
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 5.831
H-Index - 550
eISSN - 1521-3773
pISSN - 0570-0833
DOI - 10.1002/anie.199708291
Subject(s) - sketch , drug discovery , rational design , drug design , combinatorial chemistry , chemistry , stereochemistry , quantitative structure–activity relationship , computer science , computational chemistry , computational biology , algorithm , biochemistry , nanotechnology , materials science , biology
Combinatorial chemistry and rational design were elegantly combined in the “SAR (structure–activity relationship) by NMR” procedure, in which even ligands that are weakly bound to proteins could be quickly identified, optimized, and linked by rational design. The procedure is demonstrated by searching for ligands for FK binding proteins (see sketch of FK506 on the right).