Resumo

EZATPOUR, Behrouz; DOROSTI, Niloufar; REZAEE, Elham  e  GHAZIANI, Fatemeh. Comparison of the Chemical Composition and Biological Activities of Essential Oils from Two Satureja species: Molecular Docking Studies. J. Mex. Chem. Soc [online]. 2023, vol.67, n.1, pp.70-81.  Epub 11-Mar-2024. ISSN 1870-249X.  https://doi.org/10.29356/jmcs.v67i1.1816.

The Satureja species (family Lamiaceae) are economically important plants; they have been used as medicinal plants, flavoring in food, and cosmetic material for centuries. The volatile oils of two Satureja species, S. khuzistanica and S. rechingeri, were obtained by hydrodistillation method with Clevenger-type apparatus. The chemical composition of oils was analyzed by gas chromatography coupled with mass spectrometry (GC-MS). The major constituent of S. khuzistanica oil was Carvacrol (68.7%) and those of S. rechingeri oil were Thymol (51.28%) and Carvacrol (22.08%). Anticholinesterase and anticancer activities were screened by Ellman’s method and MTT assay, respectively. Besides, the role of non-covalent interactions in cholinesterase enzyme (ChE) inhibition by the main ingredient, Carvacrol, was studied through docking calculations. The inhibitory activity of S. khuzistanica oil was higher than those of S. rechingeri oil with IC50: 377.14±2.36 and 251.37±1.88 µg/ml against acetylcholinesterase enzyme (AChE) and butyrylcholinesterase enzyme (BChE). S. rechingeri essential oil was found to possess relatively moderate cytotoxic activity with IC50 values of 488.96±3.19 µg/ml and 767.22±3.19 µg/ml on A2780 and PC-3 cells, respectively. The role of hydrogen bonding and π…π stacking interactions in enzyme inhibition by a common ingredient, Carvacrol, was characterized.

Palavras-chave : S. khuzistanica; S. rechingeri; anticholinesterase activity; molecular docking, anticancer activity.