Molecular docking and ex vivo and in vitro anticholinesterase activity studies ofSalvia sp. and highlighted rosmarinic acid

Authors: LÜTFİYE ÖMÜR DEMİREZER, PERİHAN GÜRBÜZ, EMİNE PELİN KELİCEN UĞUR, MİNE BODUR, NADİRE ÖZENVER, AYŞE UZ, ZÜHAL GÜVENALP

Abstract: Background/aim: 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). Materials and 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. Conclusion: 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.

Keywords: Salvia, rosmarinic acid, acetylcholinesterase, isolated guinea pig ileum, computational screening

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