Ocena endokrinega delovanja glavnih komponent izbranih eteričnih olj in silico : Univerzitetni študijski program Kozmetologija

Vegelj, Jan (author), Sollner Dolenc, Marija (mentor)

V zadnjih nekaj desetletjih se množično soočamo s pojavom hormonskih motilcev (HM), ki lahko vplivajo na hormonsko ravnovesje pri človeku ter so odgovorni za različna bolezenska stanja. Za prepoznavanje potencialnih HM se uporabljajo najprej metode in silico. Istočasno narašča uporaba eteričnih olj zaradi želje po alternativnem načinu zdravljenja bolezni in nege kože. Zato je pomembno, da ovrednotimo potencialen učinek sestavin eteričnih olj na endokrini sistem, v prvi vrsti z metodami in silico. V nalogi smo se osredotočili na 30 eteričnih olj, ki se pogosto uporabljajo tako v farmaciji kot kozmetologiji. Podali smo splošne toksikološke podatke preiskovanih eteričnih olj ter poiskali študije s področja endokrine toksičnosti. Primere študij endokrine toksičnosti smo našli za eterično olje čajne mirte in sivke. Pri vrednotenju vezave na jedrne receptorje smo izbrali sestavine (le teh je bilo 64), ki so se nahajajo v več kot 10-odstotni koncentraciji v izbranih eteričnih oljih, saj so sestavine, prisotne v višjih koncentracijah, praviloma odgovorne za učinek eteričnega olja. Verjetnost vezave sestavin na 12 jedrnih receptorjev smo izvedli s prosto dostopnim programom Endocrine Disruptome (ED). Rezultati so podani v obliki barvne lestvice. Vseh izbranih 64 spojin program ED uvršča v srednji vezavni razred za interakcijo z androgenim receptorjem v antagonistični obliki (AR an), za 21 izmed njih pa napove verjetnost interakcije tudi z ostalimi receptorji. Teh 21 spojin smo nato razvrstili glede na kemijsko strukturo in poiskali njihove toksikološke podatke. V podatkovni bazi TEDX smo na seznamu potencialnih HM našli le dve spojini, ki jih je ED iz nabora sestavin eteričnih olj opredelil za možnost interakcij z endokrinimi receptorji. Rezultati programa ED niso skladni s študijami, ki so navedene v tej podatkovni bazi.Verjetnost vezave na endokrine receptorje, ki smo jih pridobili z ED, kažejo na potencialno endokrino aktivnost glavnih komponent eteričnih olj. Zato ne moremo trditi, da so eterična olja povsem varna za uporabo, kar v določenih primerih potrjujejo tudi študije, in jih moramo uporabljati v predpisanih koncentracijah. Uspešnost napovedi afinitete vezave bi lahko potrdili najprej s testi na celičnih linijah in vitro, ki imajo izražene posamezne jedrne receptorje, ter nadaljevali s kompleksnejšimi testi in vivo ter tako popolno ocenili potencialno endokrino delovanje teh spojin.

• Language: Slovenian
• Keywords: hormonski motilci Endocrine Disruptome endokrina toksičnost endokrini sistem
• Work type: Bachelor thesis/paper
• Typology: 2.11 - Undergraduate Thesis
• Organization: FFA - Faculty of Pharmacy
• Place of publishing: Ljubljana
• Publisher: [J. Vegelj]
• Year: 2018
• Number of pages: VII, 80 f.
• PID: 20.500.12556/RUL-120138
• UDC: 665.52:577.175(043.2)
• COBISS.SI-ID: 4583793
• Publication date in RUL: 16.09.2020

Secondary language

• Language: English
• Title: In silico assessment of endocrine activity for main components of selected essential oils

Abstract

In the last few decades, we have been massively confronted with the emergence of hormone disruptors that can affect the hormonal balance in humans and are responsible for various diseases. The methods in silico are first used to identify potential hormone disruptors. At the same time, the use of essential oils is increasing due to the desire for an alternative way of treating diseases and alternative skin care. It is therefore important to evaluate the potential effect of essential oil ingredients on the endocrine system, first with methods in silico. In our thesis we have focused on 30 essential oils that are often used both in pharmacy and cosmetology. We have provided general toxicological data of the investigated essential oils and found studies from the field of endocrine toxicity. We have found examples of endocrine toxicity studies for the essential oils of tea tree and lavender. When evaluating the binding to nuclear receptors, we selected the ingredients (namely 64 of them) appearing in concentrations higher than 10% in the essential oils, since the ingredients that are present in the highest concentrations are generally responsible for their effect. We have investigated the probability of binding of the ingredients to 12 nuclear receptors with the freely accessible program Endocrine Disruptome (ED). The results are presented in the form of a colour scale. The ED ranks all 64 selected compounds in the middle binding class for the interaction with the androgen receptor in the antagonist form (AR an) and for 21 of them, predicts the probability of interaction with other receptors. We classified these 21 compounds according to their chemical structure and acquired their toxicological data. In the TEDX database, only two compounds were found on the list of potential hormone disruptors, which ED identified from the set of ingredients for the possibility of interactions with endocrine receptors. The results of ED are not consistent with the studies listed in this database.The probability of binding to endocrine receptors that we obtained with the ED points to the potential endocrine activity of the main components of essential oils. Therefore, we cannot claim that essential oils are completely safe for use, which is in some cases also confirmed by studies, and must be used in prescribed concentrations. The efficacy of predicting the binding affinity could be confirmed first by in vitro testing on cell lines that have expressed individual nuclear receptors, followed by more complex in vivo tests to fully assess the potential endocrine activity of these compounds.

• Keywords: essential oils endocrine disruptors, Endocrine Disruptome