Abstract
docking simulations were performed on the open and the closed conformations of (S)-adenosyl-Lhomocysteine- hydrolase with a series of L-adeninylalanine analogues. Theoretical Ki values were calculated and compared to experimental Kis, determined after enzymatic assay. These results suggest that the competitive inhibitors evaluated bind reversibly to the open form of SAH-hydrolase and do not induce the conformational transition to the closed conformation.
Keywords: Docking study, SAH-hydrolase, inhibitors, antiviral agents, nucleoside analogues
Letters in Drug Design & Discovery
Title: Docking Study, Synthesis and SAH-Hydrolase Inhibitory Activity of LAdeninylalanine and Related Analogues
Volume: 2 Issue: 8
Author(s): Nicolas Floquet, Samuel Leroy, Murielle Muzard, Georges Guillerm and Jean-Bernard Behr
Affiliation:
Keywords: Docking study, SAH-hydrolase, inhibitors, antiviral agents, nucleoside analogues
Abstract: docking simulations were performed on the open and the closed conformations of (S)-adenosyl-Lhomocysteine- hydrolase with a series of L-adeninylalanine analogues. Theoretical Ki values were calculated and compared to experimental Kis, determined after enzymatic assay. These results suggest that the competitive inhibitors evaluated bind reversibly to the open form of SAH-hydrolase and do not induce the conformational transition to the closed conformation.
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Cite this article as:
Floquet Nicolas, Leroy Samuel, Muzard Murielle, Guillerm Georges and Behr Jean-Bernard, Docking Study, Synthesis and SAH-Hydrolase Inhibitory Activity of LAdeninylalanine and Related Analogues, Letters in Drug Design & Discovery 2005; 2 (8) . https://dx.doi.org/10.2174/157018005774717262
DOI https://dx.doi.org/10.2174/157018005774717262 |
Print ISSN 1570-1808 |
Publisher Name Bentham Science Publisher |
Online ISSN 1875-628X |
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