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

Autor: 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
Předmět:
Zdroj: Natural Product Research; Nov 2021, Vol. 35 Issue 22, p4757-4763, 7p
Abstrakt: 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. [ABSTRACT FROM AUTHOR]
Databáze: Complementary Index