Document Report Card

ID: ALA1148588

Journal: J Med Chem

Title: Anthrax lethal factor protease inhibitors: synthesis, SAR, and structure-based 3D QSAR studies.

Authors: Johnson SL, Jung D, Forino M, Chen Y, Satterthwait A, Rozanov DV, Strongin AY, Pellecchia M.

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.

CiteXplore: 16392787

DOI: 10.1021/jm050892j