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Biomed Res Int

Title:		"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"
Author(s):		Herrera-Calderon O; Chavez H; Enciso-Roca EC; Comun-Ventura PW; Hanari-Quispe RD; Figueroa-Salvador L; Loyola-Gonzales EL; Pari-Olarte JB; Aljarba NH; Alkahtani S; Batiha GE;
Address:		"Department of Pharmacology, Bromatology and Toxicology, Faculty of Pharmacy and Biochemistry, Universidad Nacional Mayor de San Marcos, Lima, Peru. Department of Pharmaceutical Chemistry, Faculty of Pharmacy and Biochemistry, Universidad Nacional San Luis Gonzaga, Ica 11001, Peru. Department of Human Medicine, Faculty of Health Sciences, Universidad Nacional de San Cristobal de Huamanga, Portal Independencia 57, Ayacucho 05003, Peru. Clinical Pathology Laboratory, Faculty of Veterinary Medicine and Zootechnics, Universidad Nacional del Altiplano, Av Floral 1153, Puno 21001, Peru. School of Medicine, Faculty of Health Sciences, Universidad Peruana de Ciencias Aplicadas, Prolongacion Primavera 2390, Lima 15023, Peru. Department of Pharmaceutical Science, Faculty of Pharmacy and Biochemistry, Universidad Nacional San Luis Gonzaga, Ica 11001, Peru. Department of Biology, College of Science, Princess Nourah bint Abdulrahman University, P. O. Box 84428, Riyadh 11671, Saudi Arabia. Department of Zoology, College of Science, King Saud University, P. O. Box 2455, Riyadh 11451, Saudi Arabia. Department of Pharmacology and Therapeutics, Faculty of Veterinary Medicine, Damanhour University, Damanhur, 22511 El-Beheira, Egypt"
Journal Title:		Biomed Res Int
Year:		2022
Volume:		20220516
Issue:
Page Number:		5601531 -
DOI:		10.1155/2022/5601531
ISSN/ISBN:		2314-6141 (Electronic) 2314-6133 (Print)
Abstract:		"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 mumol ET/g, ABTS = 134.88 +/- 4.37 mumol ET/g, and FRAP = 65.16 +/- 1.46 mumol ET/g. Regarding the insecticidal approach in silico, alpha-muurolene and gamma-cadinene had the best biding energy on mJHBP (DeltaG = -9.7 kcal/mol), followed by beta-cadinene (DeltaG = -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"
Keywords:		"*Aedes *Anacardiaceae/chemistry Animals Antioxidants/chemistry Gas Chromatography-Mass Spectrometry *Insecticides/chemistry/pharmacology Juvenile Hormones/analysis Larva Mosquito Vectors *Oils, Volatile/chemistry Plant Leaves/chemistry;"
Notes:		"MedlineHerrera-Calderon, Oscar Chavez, Haydee Enciso-Roca, Edwin Carlos Comun-Ventura, Pablo Williams Hanari-Quispe, Renan Dilton Figueroa-Salvador, Linder Loyola-Gonzales, Eddie Loyola Pari-Olarte, Josefa Bertha Aljarba, Nada H Alkahtani, Saad Batiha, Gaber El-Saber eng 2022/05/27 Biomed Res Int. 2022 May 16; 2022:5601531. doi: 10.1155/2022/5601531. eCollection 2022"