Projects per year
Abstract
QM/MM modelling of FAAH inactivation by O-biphenyl-3-yl carbamates identifies the deprotonation of Ser241 as the key reaction step, explaining why FAAH is insensitive to the electron-donor effect of conjugated substituents; this may aid design of new inhibitors with improved selectivity and in vivo potency.
Original language | English |
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Pages (from-to) | 2517-2519 |
Number of pages | 3 |
Journal | Chemical Communications |
Volume | 47 |
Issue number | 9 |
DOIs | |
Publication status | Published - 2011 |
Keywords
- FAAH INHIBITORS
- IN-VIVO
- SIMULATIONS
- HYDROLYSIS
- VARIANT
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Dive into the research topics of 'Understanding the role of carbamate reactivity in fatty acid amide hydrolase inhibition by QM/MM mechanistic modelling'. Together they form a unique fingerprint.Projects
- 1 Finished
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COMPUTATIONAL BIOCHEMISTRY: PREDICTIVE MODELLING FOR BIOLOGY AND MEDICINE
1/10/08 → 1/04/14
Project: Research