Antilipase activities of cultivated peppermint and rosemary essential oils: in vitro and in silico studies.

Abstract

Background/aim: The growing interest in essential oils clearly indicates the power of nature and aligns with our increasing need to find therapeutic solutions in the natural world. This study aimed to investigate the inhibitory effects of the essential oils of Mentha × piperita and Salvia rosmarinus, harvested from the Laghouat region of Algeria, against Candida rugosa lipase (CRL) and pancreatic lipase through both in vitro and in silico studies.

Materials and methods: Essential oils were extracted via hydrodistillation and analyzed using gas chromatography-mass spectrometry and spectrophotometry. Their antilipase activities were assessed using an inhibition assay, and molecular docking was performed with AutoDock Vina to explore interactions between essential oil compounds and lipase enzymes.

Results: Spectrophotometric analysis demonstrated significant inhibitory activity for each essential oil against CRL lipase, with IC₅₀ values of 0.56 ± 0.005 and 0.69 ± 0.008 mg/mL for peppermint and rosemary oils, respectively. These results were satisfactory in comparison to those achieved with orlistat. Molecular docking studies revealed the mechanisms of major compounds in each essential oil, demonstrating that these compounds inhibited CRL (PDB ID: 1CRL) and pancreatic lipase (PDB ID: 1LPB) with repeated hydrophobic interactions. The interactions were observed to be consistent with His449, Gly123, Gly124, Phe344, and Ser152 for many molecules.

Conclusion: This study highlights opportunities for essential oils and their bioactive components to be utilized as adjuvants in the management of obesity and other lipase-related disorders.