Article,

Local anaesthetic potential, metabolic profiling, molecular docking and in silico ADME studies of Ocimum forskolei, family Lamiaceae

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Nat Prod Res, 35 (22): 4757-4763 (2021)Zahran, Eman Maher Abdelmohsen, Usama Ramadan Shalash, Mahmoud M Salem, M Alaraby Khalil, Hany Ezzat Desoukey, Samar Yehia Fouad, Mostafa Ahmed Krischke, Markus Mueller, Martin Kamel, Mohamed Salah eng England 2020/02/01 Nat Prod Res. 2021 Nov;35(22):4757-4763. doi: 10.1080/14786419.2020.1719489. Epub 2020 Jan 30..
DOI: 10.1080/14786419.2020.1719489

Abstract

The present study aimed to detect the bioactive metabolites from Ocimum forskolei aerial parts which are responsible for the local anaesthetic activity of the ethyl acetate fraction. Following a bioassay-guided fractionation, twelve compounds were dereplicated from the ethyl acetate fraction which was the most potent one with a mean onset of action (1.43 +/- 0.07****) min compared to tetracaine as a positive control (1.37 +/- 0.07****) min. These compounds, along with seven other compounds (isolated by diverse chromatographic techniques) were subjected to a molecular docking study to declare the top scoring compounds predicted to be responsible for such activity. The results highlighted Rabdosiin and Apigenin-7-O-rutinoside as the main bioactive leaders of the local anaesthesia via forming multiple H- bonding with the sodium ion channels leading to their blockade and loss of pain sensation, which strongly supports the use of O. forskolei as a local anaesthetic agent.

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