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Promising Antileishmanial Activity of Micromeria nervosa Essential Oil: In Vitro and In Silico Studies.
Essid, Rym; Kefi, Sarra; Damergi, Bilel; Abid, Ghassen; Fares, Nadia; Jallouli, Selim; Abid, Islem; Hussein, Dina; Tabbene, Olfa; Limam, Ferid.
Afiliação
  • Essid R; Laboratory of Bioactive Substances, Biotechnology Center of Borj Cedria, BP 901, Hammam-Lif 2050, Tunisia.
  • Kefi S; University of Tunis-El Manar, Campus Universitaire Farhat Hached, BP-94 Rommana, Tunis 1068, Tunisia.
  • Damergi B; Laboratory of Bioactive Substances, Biotechnology Center of Borj Cedria, BP 901, Hammam-Lif 2050, Tunisia.
  • Abid G; University of Tunis-El Manar, Campus Universitaire Farhat Hached, BP-94 Rommana, Tunis 1068, Tunisia.
  • Fares N; Laboratory of Bioactive Substances, Biotechnology Center of Borj Cedria, BP 901, Hammam-Lif 2050, Tunisia.
  • Jallouli S; University of Tunis-El Manar, Campus Universitaire Farhat Hached, BP-94 Rommana, Tunis 1068, Tunisia.
  • Abid I; Laboratory of Legumes and Sustainable Agro-Systems, Centre of Biotechnology of Borj Cedria, Hammam-Lif 2050, Tunisia.
  • Hussein D; Laboratory of Bioactive Substances, Biotechnology Center of Borj Cedria, BP 901, Hammam-Lif 2050, Tunisia.
  • Tabbene O; Laboratory of Bioactive Substances, Biotechnology Center of Borj Cedria, BP 901, Hammam-Lif 2050, Tunisia.
  • Limam F; Center of Excellence in Biotechnology Research, College of Applied Medical Sciences, King Saud University, Riyadh 11495, Saudi Arabia.
Molecules ; 29(8)2024 Apr 19.
Article em En | MEDLINE | ID: mdl-38675696
ABSTRACT
The present study aimed to evaluate the leishmanicidal potential of the essential oil (EO) of Micromeria (M.) nervosa and to investigate its molecular mechanism of action by qPCR. Furthermore, in silicointeraction study of the major M. nervosa EO compounds with the enzyme cytochrome P450 sterol 14α-demethylase (CYP51) was also performed. M. nervosa EO was analyzed by gas chromatography-mass spectrometry (GC-MS). Results showed that α-pinene (26.44%), t-cadinol (26.27%), caryophyllene Oxide (7.73 ± 1.04%), and α-Cadinene (3.79 ± 0.12%) are the major compounds of M. nervosa EO. However, limited antioxidant activity was observed, as this EO was ineffective in neutralizing DPPH free radicals and in inhibiting ß-carotene bleaching. Interestingly, it displayed effective leishmanicidal potential against promastigote (IC50 of 6.79 and 5.25 µg/mL) and amastigote (IC50 of 8.04 and 7.32 µg/mL) forms of leishmania (L.) infantum and L. major, respectively. Molecular mechanism investigation showed that M. nervosa EO displayed potent inhibition on the thiol regulatory pathway. Furthermore, a docking study of the main components of the EO with cytochrome P450 sterol 14α-demethylase (CYP51) enzyme revealed that t-cadinol exhibited the best binding energy values (-7.5 kcal/mol), followed by α-cadinene (-7.3 kcal/mol) and caryophyllene oxide (-7 kcal/mol). These values were notably higher than that of the conventional drug fluconazole showing weaker binding energy (-6.9 kcal/mol). These results suggest that M. nervosa EO could serve as a potent and promising candidate for the development of alternative antileishmanial agent in the treatment of leishmaniasis.
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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Assunto principal: Óleos Voláteis / Simulação de Acoplamento Molecular / Antiprotozoários Idioma: En Revista: Molecules Assunto da revista: BIOLOGIA Ano de publicação: 2024 Tipo de documento: Article País de afiliação: Tunísia

Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Assunto principal: Óleos Voláteis / Simulação de Acoplamento Molecular / Antiprotozoários Idioma: En Revista: Molecules Assunto da revista: BIOLOGIA Ano de publicação: 2024 Tipo de documento: Article País de afiliação: Tunísia