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  • Title: Anthrax lethal factor protease inhibitors: synthesis, SAR, and structure-based 3D QSAR studies.
    Author: Johnson SL, Jung D, Forino M, Chen Y, Satterthwait A, Rozanov DV, Strongin AY, Pellecchia M.
    Journal: J Med Chem; 2006 Jan 12; 49(1):27-30. PubMed ID: 16392787.
    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.
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