Abstract
We have recently identified a series of compounds that efficiently inhibit anthrax lethal factor (LF) metallo-protease. Here we present further structure-activity relationship and CoMFA (comparative molecular field analysis) studies on newly derived inhibitors. The obtained 3D QSAR model was subsequently compared with the X-ray structure of the complex between LF and a representative compound. Our studies form the basis for the rational design of additional compounds with improved activity and selectivity.
Original language | English (US) |
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Pages (from-to) | 27-30 |
Number of pages | 4 |
Journal | Journal of Medicinal Chemistry |
Volume | 49 |
Issue number | 1 |
DOIs | |
State | Published - Jan 12 2006 |
Externally published | Yes |
ASJC Scopus subject areas
- Molecular Medicine
- Drug Discovery