Local anaesthetic potential, metabolic profiling, molecular docking and in silico ADME studies of Ocimum forskolei, family Lamiaceae. Issue 22 (18th November 2021)

• Record Type: Journal Article
• Authors: 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
• Is Part Of: Natural product research. Volume 35:Issue 22(2021)
• Page Start: 4757
• Page End: 4763
• Publication Date: 2021-11-18
• Subjects: Ocimum forskolei -- local anaesthetic -- metabolomic profiling -- phenolic compounds -- molecular docking; Natural products -- Periodicals; Natural products -- Research -- Periodicals; Biological Factors -- Periodicals; Biological Products -- Periodicals; 547
• DOI: 10.1080/14786419.2020.1719489
• Languages: English
• ISSNs: 1478-6419

Abstract

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. Graphical Abstract: