| Title : Preparation, anticholinesterase activity and molecular docking of new lupane derivatives - Castro_2014_Bioorg.Med.Chem_22_3341 |
| Author(s) : Castro MJ , Richmond V , Romero C , Maier MS , Estevez-Braun A , Ravelo AG , Faraoni MB , Murray AP |
| Ref : Bioorganic & Medicinal Chemistry , 22 :3341 , 2014 |
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Abstract :
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 21.5muM for butyrylcholinesterase, which revealed a selective inhibitor profile towards this enzyme. |
| PubMedSearch : Castro_2014_Bioorg.Med.Chem_22_3341 |
| PubMedID: 24835788 |
Castro MJ, Richmond V, Romero C, Maier MS, Estevez-Braun A, Ravelo AG, Faraoni MB, Murray AP (2014)
Preparation, anticholinesterase activity and molecular docking of new lupane derivatives
Bioorganic & Medicinal Chemistry
22 :3341
Castro MJ, Richmond V, Romero C, Maier MS, Estevez-Braun A, Ravelo AG, Faraoni MB, Murray AP (2014)
Bioorganic & Medicinal Chemistry
22 :3341