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A Method To Identify and Screen Libraries of Guests That Complex to a Synthetic Host
Author(s) -
de Jong Menno R.,
Knegtel Ronald M. A.,
Grootenhuis Peter D. J.,
Huskens Jurriaan,
Reinhoudt David N.
Publication year - 2002
Publication title -
angewandte chemie international edition
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 5.831
H-Index - 550
eISSN - 1521-3773
pISSN - 1433-7851
DOI - 10.1002/1521-3773(20020315)41:6<1004::aid-anie1004>3.0.co;2-8
Subject(s) - schematic , supramolecular chemistry , host (biology) , combinatorial chemistry , computer science , chemistry , identification (biology) , molecule , docking (animal) , computational biology , biology , engineering , organic chemistry , ecology , electronic engineering , medicine , botany , nursing
Molecular docking with a large number of guests, followed by experimental verification, was used to determine the selectivity of a synthetic host molecule and resulted in a hit rate of 30 % (see schematic outline of procedure). The identification of ligands for a given receptor by means of screening may represent a paradigm shift in supramolecular host–guest chemistry.