How reliable are current docking approaches for structure-based drug design? Lessons from aldose reductase.
Zentgraf
Matthias
M
Department of Pharmaceutical Chemistry, Philipps-University Marburg, Marbacher Weg 6, 35032 Marburg, Germany.
Steuber
Holger
H
Koch
Cornelia
C
La Motta
Concettina
C
Sartini
Stefania
S
Sotriffer
Christoph A
CA
Klebe
Gerhard
G
D000449:Aldehyde Reductase / Q000037:antagonists & inhibitors* / Q000378:metabolism; D001665:Binding Sites; D003198:Computer Simulation; D018360:Crystallography, X-Ray; D016208:Databases, Factual; D015195:Drug Design; D004791:Enzyme Inhibitors / Q000138:chemical synthesis* / Q000494:pharmacology*; D008024:Ligands; D013329:Structure-Activity Relationship
D004791:Enzyme Inhibitors; D008024:Ligands; D000449:Aldehyde Reductase