Metabolomic profiling of three Araucaria species, and their possible potential role against COVID-19

Abstract

The COVID-19 pandemic in Egypt is a part of the worldwide global crisis of coronavirus 2 (SARS-CoV-2). The contagious life-threatening condition causes acute respiratory syndrome. The present study aimed to assess the compounds identified by LC-MS of the methanolic leaves extracts from three conifers trees cultivated in Egypt (Araucaria bidwillii, Araucaria. cunninghamii and Araucaria heterophylla) via docking technique as potential inhibitor of COVID-19 virus on multiple targets; viral main protease (M^pro, 6LU7), non-structural protein-16 which is a methyl transferase (nsp16, 6W4H) and RNA dependent RNA polymerase (nsp12, 7BV2). Among the three targets, nsp16 was the best target recognized by the tested compounds as can be deduced from docking studies. Moreover, the methanolic extract of A. cunninghamii showed the highest radical-scavenging activity using (DPPH test) with 53.7 µg/mL comparable to ascorbic acid with IC₅₀ = 46 µg/mL The anti-inflammatory potential carried using enzyme linked immunoassay showed the highest activity for A. cunninghamii and A. bidwillii followed by A. heterophylla with IC₅₀ = 23.20 ± 1.17 µg/mL, 82.83 ± 3.21 µg/mL and 221.13 ± 6.7 µg/mL, respectively (Celecoxib was used as a standard drug with IC₅₀ = 141.92 ± 4.52 µg/mL). Moreover, a molecular docking study was carried for the LC-MS annotated metabolites to validate their anti-inflammatory inhibitory effect using Celecoxib as a reference compound and showed a high docking score (−7.7 kcal/mol) for Octadecyl (E) P-coumarate and (−7.3 kcal/mol) for secoisolariciresinol rhamnoside.

Communicated by Ramaswamy H. Sarma

Keywords:

• A. heterophylla
• A. cunninghamii
• A. bidwillii
• Araucariaceae
• COVID-19
• Molecular Docking
• Anti-inflammatory
• DPPH

Disclosure statement

No potential conflict of interest was reported by the authors.

Acknowledgments

The authors would like to extend their sincere appreciation to the central laboratory at Jouf University for support this study. M.M. Al-Sanea also extends his appreciation to the Korea Institute of Science and Technology (KIST) for funding this work through the Grant name “2021 KIST School Partnership Project”.

Additional information

Funding

The authors extend their appreciation to the Deputyship for Research and Innovation, Ministry of Education in Saudi Arabia for funding this work through the project number “375213500”