title: Molecular docking and ex vivo and in vitro anticholinesterase activity studies of Salvia sp. and highlighted rosmarinic acid.
abstract: OBJECTIVE
  To evaluate acetylcholinesterase (AChE) inhibitory activity and antioxidant capacity of the major molecule from Salvia sp., rosmarinic acid, as a drug candidate molecule for treatment of Alzheimer disease (AD).
  
  
  METHODS
  The AChE inhibitory activity of different extracts from Salvia trichoclada, Salvia verticillata, and Salvia fruticosa was determined by the Ellman and isolated guinea pig ileum methods, and the antioxidant capacity was determined with DPPH. The AChE inhibitory activity of the major molecule rosmarinic acid was determined by in silico docking and isolated guinea pig ileum methods.
  
  
  RESULTS
  The methanol extract of Salvia trichoclada showed the highest inhibition on AChE. The same extract and rosmarinic acid showed significant contraction responses on isolated guinea pig ileum. All the extracts and rosmarinic acid showed high radical scavenging capacities. Docking results of rosmarinic acid showed high affinity to the selected target, AChE.
  
  
  CONCLUSIONS
  In this study in vitro and ex vivo studies and in silico docking research of rosmarinic acid were used simultaneously for the first time. Rosmarinic acid showed promising results in all the methods tested.
authors.forename: Lütfiye Ömür
authors.initials: LÖ
authors.lastname: Demirezer
authors.forename: Perihan
authors.initials: P
authors.lastname: Gürbüz
authors.forename: Emine Pelin
authors.initials: EP
authors.lastname: Kelicen Uğur
authors.forename: Mine
authors.initials: M
authors.lastname: Bodur
authors.forename: Nadire
authors.initials: N
authors.lastname: Özenver
authors.forename: Ayse
authors.initials: A
authors.lastname: Uz
authors.forename: Zühal
authors.initials: Z
authors.lastname: Güvenalp
mesh_terms: D000818:Animals; D000975:Antioxidants / Q000494:pharmacology*; D002800:Cholinesterase Inhibitors / Q000494:pharmacology*; D002934:Cinnamates / Q000737:chemistry / Q000494:pharmacology*; D053630:Depsides / Q000737:chemistry / Q000494:pharmacology*; D006168:Guinea Pigs; D007082:Ileum / Q000187:drug effects*; D062105:Molecular Docking Simulation; D010936:Plant Extracts / Q000494:pharmacology*; D027544:Salvia; D046509:Tissue Culture Techniques; D000097123:Rosmarinic Acid
chemical_list: D000975:Antioxidants; D002800:Cholinesterase Inhibitors; D002934:Cinnamates; D053630:Depsides; D010936:Plant Extracts; D000097123:Rosmarinic Acid