- Lodola, Alessio;
- Capoferri, Luigi;
- Rivara, Silvia;
- Chudyk, Ewa;
- Sirirak, Jitnapa;
- Dyguda-Kazimierowicz, Edyta;
- Sokalski, W Andrzej;
- Mileni, Mauro;
- Tarzia, Giorgio;
- Piomelli, Daniele;
- Mor, Marco;
- Mulholland, Adrian J
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.
