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Letters in Drug Design & Discovery

Author(s): Bahman Nickavar* and Azar Nickavar

DOI: 10.2174/1570180819666220512140651

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Compositional Analysis of Essential Oils from Two Mentha Species and in silico Study on their Major Volatile Constituents against Polycystic Ovary Syndrome

Page: [201 - 212] Pages: 12

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Abstract

Background: Polycystic ovarian syndrome (PCOS) is defined by excessive production and/or secretion of androgenic hormones in women. This disease has a complicated nature, so its control is difficult and challenging. Therefore, many women use complementary therapies to support medical treatment, one of which is the consumption of mint plants.

Objectives: This study aimed to characterize the chemical composition of peppermint (Mentha piperita L.) and spearmint (Mentha spicata L.) oils, to assess the binding of constituents of the oils to the androgen receptor as well as their pharmacokinetic features.

Methods: The essential oils were isolated by water distillation and then analyzed using GC-MS and GCFID. Thereafter, in silico binding studies were performed between the main volatile constituents and human androgen receptors using Autodock Vina. Besides, the pharmacokinetic properties of the selected compounds were evaluated using SwissADME.

Results: GC analyses showed the presence of 19 and 23 constituents out of the total components (accounting for 94.7% and 97.6%, respectively), with carvone (73.0%), and menthone (33.1%) and menthol (29.3%) as the major compounds in spearmint and peppermint oils, respectively. Moreover, molecular docking studies revealed that carvone has the lowest binding energy to the androgen receptor. On the other hand, all tested compounds finally exhibited favorable pharmacokinetic parameters.

Conclusion: The present study virtually indicated that the main volatile constituent in the spearmint oil, i.e., carvone, could probably cause a beneficial effect on PCOS.

Keywords: Essential oil, in silico studies, Mentha piperita, Mentha spicata, polycystic ovary syndrome, androgen receptor.

Graphical Abstract

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