INVESTIGADORES
MAIER Marta Silvia
artículos
Título:
Preparation, anticholinesterase activity and molecular docking of new lupane derivatives
Autor/es:
CASTRO, MARÍA JULIA; RICHMOND VICTORIA; ROMERO, CARMEN; MAIER, MARTA S.; ESTÉVEZ-BRAUN, ANA; RAVELO, ANGEL G.; FARAONI, MARÍA B.; MURRAY, ANA P
Revista:
BIOORGANIC & MEDICINAL CHEMISTRY.
Editorial:
PERGAMON-ELSEVIER SCIENCE LTD
Referencias:
Lugar: Amsterdam; Año: 2014 vol. 22 p. 3341 - 3350
ISSN:
0968-0896
Resumen:
A set of twenty one lupane derivatives (2?22) was prepared from the natural triterpenoid calenduladiol (1) by transformations on the hydroxyl groups at C-3 and C-16, and also on the isopropenyl moiety. The derivatives were tested for their inhibitory activity against acetylcholinesterase (AChE) and Butyrylcholinesterase (BChE) and some structure?activity relationships were outlined with the aid of enzyme kinetic studies and docking modelization. The most active compound resulted to be 3,16,30-trioxolup-20(29)-ene (22), with an IC50 value of 21.5 lM for butyrylcholinesterase, which revealed a selective inhibitor profile towards this enzyme.
