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EnglishWe 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 mol. field anal.) 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 compounds. Our studies form the basis for the rational design of addinional compounds with improved activity and selectivity.
| Titolo: | Anthrax Lethal Factor Protease Inhibitors: synthesis, SAR and Structure-based 3D QSAR studies | |
| Autori: | ||
| Data di pubblicazione: | 2006 | |
| Rivista: | ||
| 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 mol. field anal.) 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 compounds. Our studies form the basis for the rational design of addinional compounds with improved activity and selectivity. | |
| Handle: | http://hdl.handle.net/11588/104516 | |
| Appare nelle tipologie: | 1.1 Articolo in rivista |
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