Eugenia uniflora, Melaleuca armillaris, and Schinus molle essential oils to manage larvae of the filarial vector Culex quinquefasciatus (Diptera: Culicidae)

Oliveira, Júlia Assunção de Castro; Ferreira, Lorena Sales; Garcia, Israel José Pereira; Santos, Hérica de Lima; Ferreira, Gustavo Sales; Rocha, João Pedro Miranda; Nunes, Stênio Alves; Carvalho, Alexandre Alves de; Pinto, José Eduardo Brasil Pereira; Bertolucci, Suzan Kelly Vilela

doi:10.1007/s11356-021-18024-x

Cited by 15 publications

(5 citation statements)

References 49 publications

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“…The yielded EOs are conserved at −5 °C and sheltered from light 84 . Quantitative and qualitative chemical analyses of EOs extracted were performed according to the methodology adopted by Oliveira et al (2022) 85 , with modifications. Chemical constituents were identified by comparing their retention rates against a standard solution co-injection, library databases, and literature 86 – 88 .…”

Section: Methodsmentioning

confidence: 99%

Elucidating the molecular mechanisms of essential oils' insecticidal action using a novel cheminformatics protocol

Correa

Carvalho

Oliveira

et al. 2023

Sci Rep

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Essential oils (EOs) are a promising source for novel environmentally safe insecticides. However, the structural diversity of their compounds poses challenges to accurately elucidate their biological mechanisms of action. We present a new chemoinformatics methodology aimed at predicting the impact of essential oil (EO) compounds on the molecular targets of commercial insecticides. Our approach merges virtual screening, chemoinformatics, and machine learning to identify custom signatures and reference molecule clusters. By assigning a molecule to a cluster, we can determine its most likely interaction targets. Our findings reveal that the main targets of EOs are juvenile hormone-specific proteins (JHBP and MET) and octopamine receptor agonists (OctpRago). Three of the twenty clusters show strong similarities to the juvenile hormone, steroids, and biogenic amines. For instance, the methodology successfully identified E-Nerolidol, for which literature points indications of disrupting insect metamorphosis and neurochemistry, as a potential insecticide in these pathways. We validated the predictions through experimental bioassays, observing symptoms in blowflies that were consistent with the computational results. This new approach sheds a higher light on the ways of action of EO compounds in nature and biotechnology. It also opens new possibilities for understanding how molecules can interfere with biological systems and has broad implications for areas such as drug design.

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Section: Methodsmentioning

confidence: 99%

Elucidating the molecular mechanisms of essential oils' insecticidal action using a novel cheminformatics protocol

Correa

Carvalho

Oliveira

et al. 2023

Sci Rep

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“…The EOs had LC 50 values between 31.52 and 60.08 mg/L, considered effective against larvae. Curzerene (24.13 %), E-β-ocimene (11.64 %), germacrene B (9.60 %) and germacrone (8.09 %) were the principal constituents of the oil (Oliveira et al, 2022).…”

Section: Culex Quinquefasciatusmentioning

confidence: 99%

Essential oils from Carapebus sandbank plants as natural controllers against insect pests of importance in Brazilian public health and agriculture

Albuquerque¹,

Rocha²

2023

NRFHH

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The use of biological controllers of natural origin against pests of agricultural and health importance has been increasingly recommended in recent years due to lower environmental toxicity, in addition to promoting greater safety for human and animal health. At the same time, the development of studies with native and promising plant resources, which are still little studied, means that conservation measures for these species are encouraged. In this context, this review aims to optimize and discuss the use of essential oils from plants that grow in Carapebus sandbanks as controllers of Brazil's most important agricultural pests and disease transmitters. This work was presented as an important tool for promoting plant resources in the fight against these pests in Brazilian territory, aiming to stimulate more eco-friendly and safer-health agents in agronomic practices and for the urban and rural population use. Furthermore, these essential oils, in addition to presenting an interesting potential to be used as organic insecticides, also contribute to the valorization of native species.

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“…The yielded EOs are conserved at -5ºC and sheltered from light [71]. Quantitative and qualitative chemical analyses of EOs extracted were performed according to the methodology adopted by Oliveira et al (2022) [72], with modi cations. Chemical constituents were identi ed by comparing their retention rates against a standard solution coinjection, library databases, and literature [73,74,75].…”

Section: Experimental Symptoms Caused By Essential Oil Applicationmentioning

confidence: 99%

Virtual screening and cheminformatics descriptors uncover insecticidal molecular mechanisms besides plant essential oils' action.

Correa

Carvalho

Oliveira

et al. 2022

Preprint

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Plant essential oils (EOs) are important for discovering new bioactive substances, such as environmentally safe insecticides. However, the high structural diversity of EOs compounds and their elusive biochemical mechanisms make a gap in knowledge of their major targets and action mechanisms. Here we present a predictive cheminformatics methodology and experimental validation of the ability of EO's typical natural compounds to act as potential insecticides against canonical insect molecular targets. A cheminformatics analysis protocol was created to identify chemical signatures of compounds present in EOs capable of interfering with typical targets of insecticides. Three of our clusters presented strong respective signatures for JH-like, Steroids-like and biogenic-amines-like structures, all of them with reported anti-insecticidal effects. Case studies highlight the participation of juvenile hormone-specific proteins (JHBP and MET) and the octopamine receptor at agonist conformation (OctpR ago) as major targets for EOs of typical Brazilian plants. In vivo application of leave’s EOs from Baccharis dracunculifolia on blowflies led to dose-response symptoms in adults, larvae and hatching consonants with such signatures. Taking it all together, the present study points out the success of a promising methodology to identify insecticidal pharmacophore signatures on plants' EOs, which can be of high value for the bioprospection of new natural products and molecules with agro and health interests.

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Eugenia uniflora, Melaleuca armillaris, and Schinus molle essential oils to manage larvae of the filarial vector Culex quinquefasciatus (Diptera: Culicidae)

Cited by 15 publications

References 49 publications

Elucidating the molecular mechanisms of essential oils' insecticidal action using a novel cheminformatics protocol

Elucidating the molecular mechanisms of essential oils' insecticidal action using a novel cheminformatics protocol

Essential oils from Carapebus sandbank plants as natural controllers against insect pests of importance in Brazilian public health and agriculture

Virtual screening and cheminformatics descriptors uncover insecticidal molecular mechanisms besides plant essential oils' action.

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