| Title : Huprine derivatives as sub-nanomolar human acetylcholinesterase inhibitors: from rational design to validation by X-ray crystallography - Ronco_2012_ChemMedChem_7_400 |
| Author(s) : Ronco C , Carletti E , Colletier JP , Weik M , Nachon F , Jean L , Renard PY |
| Ref : ChemMedChem , 7 :400 , 2012 |
|
Abstract :
This complete study - from rational design to validation by X-ray crystallography allowed us to discover two sub-nanomolar hAChE inhibitors (430 and 530 pM) grafted with an easily derivatized linker directed toward the AChE peripheral site. The crystal structure of mouse AChE in complex with compound 4 was solved and confirms the favorable position of the triazole in the active site gorge, paving the way for a new class of bifunctional ligands. |
| PubMedSearch : Ronco_2012_ChemMedChem_7_400 |
| PubMedID: 22052791 |
| Gene_locus related to this paper: mouse-ACHE |
| Inhibitor | H34 |
| Gene_locus | mouse-ACHE |
| Structure | 4A16 |
Ronco C, Carletti E, Colletier JP, Weik M, Nachon F, Jean L, Renard PY (2012)
Huprine derivatives as sub-nanomolar human acetylcholinesterase inhibitors: from rational design to validation by X-ray crystallography
ChemMedChem
7 :400
Ronco C, Carletti E, Colletier JP, Weik M, Nachon F, Jean L, Renard PY (2012)
ChemMedChem
7 :400