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Nowadays, the extracted essential oils (EOs) from aromatic plants, have attracted much attention as interesting natural products with great biological potential, including activities as antioxidants and food preservatives, which play an important role in different industries. However, the chemical complexity, diversity and the properties of this EOs have not been sufficiently elucidated to date. In this study, the essential oils from fresh (EOfL) and dried (EOdL) leaves of Lippia origanoides Kunth. collected from the northeastern region of Brazil (Pernambuco State – Recife) in two periods of the year (dry and rainy), were compared, for the first time, for their chemical composition and antioxidant activities. In addition, safety of the major constituents of these EOs by in silico modeling, regarding the parameters of Absorption, Distribution, Metabolism, Excretion and Toxicity (ADMET) was investigated too. The EOs were extracted by hydrodistillation and analyzed by gas chromatographic coupled with mass spectrometry (GC/MS). Carvacrol and Thymol were identified as the major constituents of EOfL (59.68-63.09% for rainy and dry season and 10.6-11.28% dry and rainy season) and EOdL (62.2-62.89 and 11.58-12.02% for both, rainy and dry season), respectively. Antioxidant potentials were determined by DPPH and ABTS methods. All oils exhibited antioxidant activity. EOdL achieved the best results on the DPPH scavenging (EC50 = 184.5 µg/ml for dry season) and with the ABTS capture (EC50 = 198.5 µg/ml for rainy season). Concerning toxicity, the prediction tools (Swiss ADME, PROTOX-II Server, Molinspiration and Osiris Property Explorer and Osiris Data Warrior), reveal that, in general, the major compounds of OEs have a low possibility of toxicity in several aspects, such as hepatotoxicity, mutagenicity and tumorogenicity. These results taken together suggest that the essential oils from leaves of L. origanoides could be used as a source of natural products with antioxidant efficacy for use in the pharmaceutical, food, and cosmetic industries.
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