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>