title: The design and synthesis of ALS inhibitors from pharmacophore models.
abstract: 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.
authors.affiliation: Elemento-Organic Chemistry Institute, State Key Laboratory of Elemento-Organic Chemistry, Nankai University, Tianjin, China.
authors.forename: J
authors.initials: J
authors.lastname: Liu
authors.forename: Z
authors.initials: Z
authors.lastname: Li
authors.forename: H
authors.initials: H
authors.lastname: Yan
authors.forename: L
authors.initials: L
authors.lastname: Wang
authors.forename: J
authors.initials: J
authors.lastname: Chen
mesh_terms: 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
chemical_list: D004791:Enzyme Inhibitors; D000095:Acetolactate Synthase