GC-MS Profile, Antioxidant Activity, and In Silico Study of the Essential Oil from Schinus molle L. Leaves in the Presence of Mosquito Juvenile Hormone-Binding Protein (mJHBP) from Aedes aegypti .

Autor: Herrera-Calderon O; Department of Pharmacology, Bromatology and Toxicology, Faculty of Pharmacy and Biochemistry, Universidad Nacional Mayor de San Marcos, Lima, Peru., Chavez H; Department of Pharmaceutical Chemistry, Faculty of Pharmacy and Biochemistry, Universidad Nacional San Luis Gonzaga, Ica 11001, Peru., Enciso-Roca EC; Department of Human Medicine, Faculty of Health Sciences, Universidad Nacional de San Cristobal de Huamanga, Portal Independencia 57, Ayacucho 05003, Peru., Común-Ventura PW; Department of Human Medicine, Faculty of Health Sciences, Universidad Nacional de San Cristobal de Huamanga, Portal Independencia 57, Ayacucho 05003, Peru., Hañari-Quispe RD; Clinical Pathology Laboratory, Faculty of Veterinary Medicine and Zootechnics, Universidad Nacional del Altiplano, Av Floral 1153, Puno 21001, Peru., Figueroa-Salvador L; School of Medicine, Faculty of Health Sciences, Universidad Peruana de Ciencias Aplicadas, Prolongación Primavera 2390, Lima 15023, Peru., Loyola-Gonzales EL; Department of Pharmaceutical Science, Faculty of Pharmacy and Biochemistry, Universidad Nacional San Luis Gonzaga, Ica 11001, Peru., Pari-Olarte JB; Department of Pharmaceutical Chemistry, Faculty of Pharmacy and Biochemistry, Universidad Nacional San Luis Gonzaga, Ica 11001, Peru., Aljarba NH; Department of Biology, College of Science, Princess Nourah bint Abdulrahman University, P. O. Box 84428, Riyadh 11671, Saudi Arabia., Alkahtani S; Department of Zoology, College of Science, King Saud University, P. O. Box 2455, Riyadh 11451, Saudi Arabia., Batiha GE; Department of Pharmacology and Therapeutics, Faculty of Veterinary Medicine, Damanhour University, Damanhur, 22511 El-Beheira, Egypt.
Jazyk: angličtina
Zdroj: BioMed research international [Biomed Res Int] 2022 May 16; Vol. 2022, pp. 5601531. Date of Electronic Publication: 2022 May 16 (Print Publication: 2022).
DOI: 10.1155/2022/5601531
Abstrakt: Schinus molle is a medicinal plant used as an anti-inflammatory and for rheumatic pain in the traditional medicine of Peru. On the other hand, Aedes aegypti is the main vector of several tropical diseases and the transmitter of yellow fever, chikungunya, malaria, dengue, and Zika virus. In this study, the aim was to investigate the antioxidant activity in vitro and the insecticidal activity in silico, in the presence of the mosquito juvenile hormone-binding protein (mJHBP) from Aedes aegypti , of the essential oil from S. molle leaves. The volatile phytochemicals were analyzed by gas chromatography-mass spectrometry (GC-MS), and the profile antioxidants were examined by DPPH, ABTS, and FRAP assays. The evaluation in silico was carried out on mJHBP (PDB: 5V13) with an insecticidal approach. The results revealed that EO presented as the main volatile components to alpha-phellandrene (32.68%), D-limonene (12.59%), and beta-phellandrene (12.24%). The antioxidant activity showed values for DPPH = 11.42 ± 0.08  μ mol ET/g, ABTS = 134.88 ± 4.37  μ mol ET/g, and FRAP = 65.16 ± 1.46  μ mol ET/g. Regarding the insecticidal approach in silico, alpha-muurolene and gamma-cadinene had the best biding energy on mJHBP (Δ G = -9.7 kcal/mol), followed by beta-cadinene (Δ G = -9.5 kcal/mol). Additionally, the volatile components did not reveal antioxidant activity, and its potential insecticidal effect would be acting on mJHBP from A. aegypti.
Competing Interests: The authors declare no conflicts of interest.
(Copyright © 2022 Oscar Herrera-Calderon et al.)
Databáze: MEDLINE
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