“STUDY OF THE INTERACTION OF HUPERZIA SAURURUS LYCOPODIUM ALKALOIDS WITH THE ACETYLCHOLINESTERASE ENZYME

• MARCELO PUIATTI; JOSÉ LUIS BORIONI; MARIANA VALLEJO; JOSÉ LUIS CABRERA; MARIEL AGNESE; MARÍA GABRIELA ORTEGA; ADRIANA BEATRÍZ PIERINI

ELSEVIER SCIENCE INC

Lugar: Amsterdam; Año: 2013

font lang="en" face="GulliverRM" size="1"> In the present study, we describe and compare the binding modes of three Lycopodium alkaloids (sauroine, 6-hydroxylycopodine and sauroxine; isolated from Huperzia saururus) and huperzine A with the enzyme acetylcholinesterase. Refinement and rescoring of the docking poses (obtained with different programs) with an all atom force field helped to improv