10.6084/m9.figshare.11776578.v1 Eman Maher Zahran Eman Maher Zahran Usama Ramadan Abdelmohsen Usama Ramadan Abdelmohsen Mahmoud. M. Shalash Mahmoud. M. Shalash M. Alaraby Salem M. Alaraby Salem Hany Ezzat Khalil Hany Ezzat Khalil Samar Yehia Desoukey Samar Yehia Desoukey Mostafa Ahmed Fouad Mostafa Ahmed Fouad Markus Krischke Markus Krischke Martin Mueller Martin Mueller Mohamed Salah Kamel Mohamed Salah Kamel Local anaesthetic potential, metabolic profiling, molecular docking and in silico ADME studies of <i>Ocimum forskolei</i>, family <i>Lamiaceae</i> Taylor & Francis Group 2020 Ocimum forskolei local anaesthetic metabolomic profiling phenolic compounds molecular docking 2020-01-31 07:32:50 Journal contribution https://tandf.figshare.com/articles/journal_contribution/Local_anaesthetic_potential_metabolic_profiling_molecular_docking_and_in_silico_ADME_studies_of_i_Ocimum_forskolei_i_family_i_Lamiaceae_i_/11776578 <p>The present study aimed to detect the bioactive metabolites from <i>Ocimum forskolei</i> 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 <i>via</i> forming multiple H- bonding with the sodium ion channels leading to their blockade and loss of pain sensation, which strongly supports the use of <i>O. forskolei</i> as a local anaesthetic agent. </p> <p></p>