Molecular docking, anti-inflammatory, antimicrobial and antioxidant evaluation of Pterospermum rubiginosum B. Heyne

Subject Areas : Medicinal and Herbal Plants

Rajamohanan Anish ¹ , Fathima Rumaisa ² , Thankamani Aswathy ³ , Velappan Nair Kalpana ⁴ , Arun Rauf ⁵

1 - Department of Biochemistry, University of Kerala, Trivandrum, India
2 - Department of Biochemistry, University of Kerala, Trivandrum, India
3 - Department of Computational Biology and Bioinformatics, University of Kerala, Trivandrum, India
4 - Department of Biochemistry, University of Kerala, Trivandrum, India Kerala, India.
5 - Department of Biochemistry, University of Kerala, Trivandrum, India

Received: 2023-01-13 Accepted : 2023-06-23 Published : 2023-06-01

Keywords: Anti-inflammatory, Malvaceae, Bark extract, <i>Pterospermum rubiginosum</i> B. Heyne, Molecular docking, RAW 264.7cells,

Abstract :

Pterospermum rubiginosum B.Heyne ex G.Don (PR) is a traditional medicinal plant used by the tribal people of the Western Ghats to treat bone fractures, inflammation, and sprain. Being an under-explored medicinal plant, the mechanism behind the anti-inflammatory activity of PR is unknown to the scientific community. FTIR analysis was done to recognize the functional groups in PR bark extract, and LCMS elucidated the phytochemical characterization. Molecular docking studies showed an excellent ligand and protein (inflammatory mediators) binding and their interactive mechanism. Total phenolic and total flavonoid contents were found to be 46.7 and 37.4 g/100 g for PRME. PRME showed hydrogen peroxide and DPPH (1,1diphenyl-2-picryl hydrazyl) radical scavenging activity with IC50 values of 48.33 and 42.70 µg/mL, respectively. Gene expression study of COX-1 and COX-2 enzymes confirmed the anti-inflammatory activity of PRME. The present study justifies the potential use of PR in the traditional medicine as an anti-inflammatory agent.

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