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The Inhibitory Effect of Three Essential Oils on Candida Rugosa Lipase: In Vitro and In Silico Studies

Author(s):

Talia Serseg* and Khedidja Benarous   Pages 1 - 8 ( 8 )

Abstract:


For the first time, the effect of essential oils on the inhibition of lipases has been investigated. The inhibitory effect of three essential oils of most valuable spices that have been used for centuries, Peppermint (Mentha piperita L.), cinnamon (Cinnamomum zeylanicum L.) and Cloves (Syzygium aromaticum L. Merr. et Perry) have been proved on lipase of Candida rugosa. We have found that these essential oils have a strong inhibitory effect with IC50 values 1.09, 1.78 and 1.13 mg/ml compared with Orlistat 0.06 mg/ml. As known, the major compounds of these essential oils are: menthol, carvacrol, eugenol and cinnamylaldehyde. In silico studies using molecular docking have been achieved to study the inhibition mechanism of these compounds with lipase. Autodock vina was used for molecular docking with 50 runs and 1000 obtained solutions. The results show competitive inhibition for the three major compounds Menthol, Carvacrol and Eugenol with uncompetitive inhibition for Cinnamaldehyde. Different repetition ratios of hydrogen bonds and hydrophobic interactions were observed. The saved interactions were with His449, Ser209, Gly123, Gly124 and Phe344 for all molecules. These observations support essential oils and their compounds as good sources for the design of new drugs to treat candidiasis and other diseases related to Lipases.

Keywords:

In silico, inhibition activity, Candida rugosa lipase, Molecular docking, Essential oils, Lipase, in vitro

Affiliation:

Laboratoire des sciences fondamentales, Universite Amar Telidji, Laghouat, Laboratoire des sciences fondamentales, Universite Amar Telidji, Laghouat



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