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.
Biomed Res Int. 2022 May 16;2022:5601531. doi: 10.1155/2022/5601531. eCollection 2022.
is a medicinal plant used as an anti-inflammatory and for rheumatic pain in the traditional medicine of Peru. On the other hand, 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 , of the essential oil from 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 mol ET/g, ABTS = 134.88 ± 4.37 mol ET/g, and FRAP = 65.16 ± 1.46 mol ET/g. Regarding the insecticidal approach in silico, alpha-muurolene and gamma-cadinene had the best biding energy on mJHBP (Δ = -9.7 kcal/mol), followed by beta-cadinene (Δ = -9.5 kcal/mol). Additionally, the volatile components did not reveal antioxidant activity, and its potential insecticidal effect would be acting on mJHBP from
是秘鲁传统医学中用于抗炎和治疗风湿痛的药用植物。另一方面， 是几种热带疾病的主要载体，也是黄热病、基孔肯雅热、疟疾、登革热和寨卡病毒的传播媒介。在这项研究中，目的是研究 的叶精油在存在蚊子保幼激素结合蛋白（mJHBP）的情况下的体外抗氧化活性和计算机模拟的杀虫活性。通过气相色谱-质谱联用（GC-MS）分析挥发植物化学物质，通过 DPPH、ABTS 和 FRAP 测定法检查抗氧化剂谱。计算机模拟评估是在 mJHBP（PDB：5V13）上进行的，采用杀虫方法。结果表明，精油以α-松油烯（32.68％）、D-柠檬烯（12.59％）和β-松油烯（12.24％）为主要挥发性成分。抗氧化活性值为 DPPH = 11.42 ± 0.08 mol ET/g，ABTS = 134.88 ± 4.37 mol ET/g，FRAP = 65.16 ± 1.46 mol ET/g。关于计算机模拟的杀虫方法，α-穆勒烯和γ-杜松烯在 mJHBP 上具有最佳的结合能（Δ = -9.7 kcal/mol），其次是β-杜松烯（Δ = -9.5 kcal/mol）。此外，挥发性成分没有显示出抗氧化活性，其潜在的杀虫作用将作用于
