The design and synthesis of ALS inhibitors from pharmacophore models

J Liu; Z Li; H Yan; L Wang; J Chen

doi:10.1016/s0960-894x(99)00301-7

The design and synthesis of ALS inhibitors from pharmacophore models

Bioorg Med Chem Lett. 1999 Jul 19;9(14):1927-32. doi: 10.1016/s0960-894x(99)00301-7.

Authors

J Liu¹, Z Li, H Yan, L Wang, J Chen

Affiliation

¹ Elemento-Organic Chemistry Institute, State Key Laboratory of Elemento-Organic Chemistry, Nankai University, Tianjin, China.

PMID: 10450955
DOI: 10.1016/s0960-894x(99)00301-7

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.

Publication types

Research Support, Non-U.S. Gov't

MeSH terms

Acetolactate Synthase / antagonists & inhibitors*
Computer Simulation*
Computer-Aided Design*
Drug Design
Enzyme Inhibitors / chemical synthesis*
Enzyme Inhibitors / pharmacology*
Inhibitory Concentration 50
Models, Molecular*

Substances

Enzyme Inhibitors
Acetolactate Synthase