The design and synthesis of ALS inhibitors from pharmacophore models.
In search of new ALS inhibitors without the previous knowledge of receptor crystal structure, DISCO module was applied to produce 3D-pharmacophore models, which provided information to design novel molecules by 3D-database searching. Then a number of molecules were synthesized. Several of them have some ALS inhibitory activities.
Liu
J
J
Elemento-Organic Chemistry Institute, State Key Laboratory of Elemento-Organic Chemistry, Nankai University, Tianjin, China.
Li
Z
Z
Yan
H
H
Wang
L
L
Chen
J
J
D000095:Acetolactate Synthase / Q000037:antagonists & inhibitors*; D003198:Computer Simulation; D017076:Computer-Aided Design; D015195:Drug Design; D004791:Enzyme Inhibitors / Q000138:chemical synthesis* / Q000494:pharmacology*; D020128:Inhibitory Concentration 50; D008958:Models, Molecular
D004791:Enzyme Inhibitors; D000095:Acetolactate Synthase