Unveiling the in vitro, in vivo anti-inflammatory potential of Ocimum basilicum and in silico analysis of its phytocompounds targeting COXs proteins.

Objectives: This study aimed to evaluate the anti-inflammatory potential of ethanolic extract of Ocimum basilicum seeds (EEOBS) through in vitro, in vivo, and in silico approaches.

Methods: The in vivo anti-inflammatory activity of EEOBS was assessed using a carrageenan-induced paw edema model in Swiss albino mice, where paw thickness was measured at 1, 2, 3, 4, and 5 hours post-treatment. The in vitro anti-inflammatory potential was evaluated using a bovine serum albumin (BSA) denaturation assay at varying concentrations of EEOBS (50, 100, 250, 500, and 1000 μg/ml).

Key findings: Gas chromatography-mass spectrometry (GC-MS) analysis of EEOBS revealed the presence of several bioactive phytochemicals, with 9,12,15-Octadecatrienoic acid (47.27%) and hexadecanoic acid (13.45%) as the major constituents. Histopathological analysis of mice paws showed significant restoration of the keratin and epithelium layers in treated groups compared to the control. Molecular docking analysis identified linoleic acid and 12-Z-octadecatrienoic acid as the most promising compounds, demonstrating higher binding affinity than the standard inhibitor for both cyclooxygenase proteins (COX-1: PDB ID 1EQG and COX-2: PDB ID 1CX2). Additionally, n-octadecanoic acid exhibited superior binding with COX-2 (1CX2).

Conclusion: The in vitro, in vivo, and in silico findings suggest that EEOBS possesses significant anti-inflammatory potential, indicating its suitability for targeted anti-inflammatory therapies. However, further clinical trials are required to validate its therapeutic efficacy.