Chemical Composition, Insecticidal Effects against the Mediterranean Flour Moth, and in silico Molecular Docking Study of the Essential Oil of Algerian Rose-Scented Geranium ‘Pelargonium graveolens L’Her’

Authors

DOI:

https://doi.org/10.29356/jmcs.v70i1.2451

Keywords:

Pelargonium graveolens, insecticidal activity, Ephestia kuehniella, molecular docking

Abstract

In the context of exploring alternative strategies for managing pests in stored products, the insecticidal potential of Pelargonium graveolens L’Hér. (Geraniaceae) An essential oil (EO) was evaluated against Ephestia kuehniella Zeller (Lepidoptera: Pyralidae), a major stored-product pest. Firstly, its chemical composition was determined by GC-MS, and its toxicity was assessed by topical application to newly molted pupae. Next, the estimated median lethal dose (LD50) was used to assess developmental and reproductive parameters in adult females.

In addition, an in silico study was conducted using molecular docking to illustrate interactions between the EO's main components and Juvenile hormone-binding protein (JHBP),  which regulates the availability of Juvenile hormone, the key hormonal regulator of insect development and reproduction.

A total of 54 compounds were identified by GC-MS, representing 96.40 % of the total peak area, with β-citronellol (28.67 %), geraniol (14.57 %), and linalool (6.09 %) as the main compounds. Lethal doses (LD50 and LD90) were estimated at 13.18 µL mL-1 and 85.11 µL mL-1, respectively. In addition, the LD50 administered to E. kuehniella female pupae caused disturbances in development and reproductive potential. The duration of pupal development and the fecundity were significantly reduced. Morphometric and biochemical studies showed that EO also reduced ovary size, volume, and vitellin content in adult females. In silico results show that the compounds engaged in hydrophobic interactions and formed hydrogen bonds with the active site of JHBP, explaining their strong interaction with the protein target. Our findings confirm the effectiveness of P. graveolens EO as a bioinsecticide, supporting its potential as an alternative to chemical insecticides in stored-product pest control.

 

Resumen. En el contexto de la exploración de estrategias alternativas para la gestión de plagas en productos almacenados, se evaluó el potencial insecticida del aceite esencial (AE) de Pelargonium graveolens L'Hér. (Geraniaceae) contra Ephestia kuehniella Zeller (Lepidoptera: Pyralidae), una plaga importante de productos almacenados. En primer lugar, se determinó su composición química mediante GC-MS y se evaluó su toxicidad mediante su aplicación tópica en pupas recién mudadas. A continuación, se aplicó la dosis letal media estimada (DL50) para determinar ciertos parámetros de desarrollo y de reproducción en hembras adultas. Además, se llevó a cabo un estudio in silico mediante acoplamiento molecular para ilustrar la interacción entre los componentes principales del aceite esencial y la proteína de unión a la hormona juvenil (JHBP), que regula la disponibilidad de la hormona juvenil, principal regulador hormonal del desarrollo y la reproducción de los insectos. Mediante GC-MS se identificaron un total de 54 compuestos, que representaban el 96,40 % del área total de los picos, siendo el β-citronelol (28.67 %), el geraniol (14.57 %) y el linalool (6.09 %) los compuestos principales. Las dosis letales (LD50 y LD90) se estimaron en 13.18 µL mL-1 y 85.11 µL mL-1, respectivamente. Además, la DL50 administrada a las pupas hembras de E. kuehniella provocó alteraciones en el desarrollo y en el potencial reproductivo. La duración del desarrollo pupal y la fecundidad se redujeron significativamente. Los estudios morfométricos y bioquímicos mostraron que el AE también reducía el tamaño, el volumen y el contenido de vitelina en los ovarios de las hembras adultas. Los resultados del estudio in silico muestran que los compuestos establecieron interacciones hidrofóbicas y formaron enlaces de hidrógeno con el sitio activo de la JHBP, lo que explica su buena interacción con la proteína diana. Nuestros resultados confirman la eficacia del AE de P. graveolens como bioinsecticida y respaldan su potencial como alternativa a los insecticidas químicos para el control de plagas en productos almacenados.

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Author Biographies

Grine Sara, Badji-Mokhtar Annaba University

¹Laboratory of Applied Animal Biology, Biology Department, Sciences Faculty

²Laboratory of Applied Organic Chemistry, Synthesis of Biomolecules and Molecular Modelling Group, Sciences Faculty, Chemistry Department

Hami Manel, University May 8

Laboratory of Biology, Water, and Environment, Department of Natural and Life Sciences, Faculty of Life and Natural Sciences and Earth and Universe Sciences

Taibi Faiza, Badji-Mokhtar Annaba University

Laboratory of Applied Animal Biology, Biology Department, Sciences Faculty

Berredjem Malika , Badji-Mokhtar Annaba University

Laboratory of Applied Organic Chemistry, Synthesis of Biomolecules and Molecular Modelling Group, Sciences Faculty, Chemistry Department

Djouad Seif- Eddine, Badji-Mokhtar Annaba University

Laboratory of Applied Organic Chemistry, Synthesis of Biomolecules and Molecular Modelling Group, Sciences Faculty, Chemistry Department

Hamida Zahia Cirine, Badji-Mokhtar Annaba University

Laboratory of Applied Animal Biology, Biology Department, Sciences Faculty

Bachari Khaldoune, Center for Scientific and Technical Research in Physical and Chemical Analysis

Assisstant Director and General of the Algerian Public Scientific and Technical Research Centre in The Physico-Chemical

Soltani Noureddine , Badji-Mokhtar Annaba University

Laboratory of Applied Animal Biology, Biology Department, Sciences Faculty

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