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Steering Target Selectivity and Potency by Fragment‐Based De Novo Drug Design
Author(s) -
Rodrigues Tiago,
Kudoh Takayuki,
Roudnicky Filip,
Lim Yi Fan,
Lin YenChu,
Koch Christian P.,
Seno Masaharu,
Detmar Michael,
Schneider Gisbert
Publication year - 2013
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/anie.201304847
Subject(s) - computer science , drug discovery , prime (order theory) , computational biology , world wide web , information retrieval , chemistry , biology , biochemistry , mathematics , combinatorics
Kinase inhibitors : Ligand‐based de novo design is validated as a viable technology for rapidly generating innovative compounds possessing the desired biochemical profile. The study discloses the discovery of the most selective vascular endothelial growth factor receptor‐2 (VEGFR‐2) kinase inhibitor (right in scheme) known to date as prime lead for antiangiogenic drug development.