Bioactive volatiles of Allium sativum and Brassica juncea for management of Tribolium castaneum and Corcyra cephalonica: Comprehensive in-silico and in-vitro analysis
{"title":"Bioactive volatiles of Allium sativum and Brassica juncea for management of Tribolium castaneum and Corcyra cephalonica: Comprehensive in-silico and in-vitro analysis","authors":"Biswajit Horijan , Aditi Kundu , Suresh M. Nebapure , Abhishek Mandal , Neeraj Patanjali , Arkadeb Mukhopadhyay , D.K. Yadava , Anupama Singh","doi":"10.1016/j.jspr.2025.102736","DOIUrl":null,"url":null,"abstract":"<div><div>Stored grain insects, <em>Tribolium castaneum</em> (red flour beetle) and <em>Corcyra cephalonica</em> (rice moth) pose significant threats to global food security. In spite of effectiveness of the conventional fumigants, huge concerns raised for adverse effect on environmental and human health, thereby prompting interest in exploitation of plant-derived volatile oils (VOs) as eco-friendly alternatives. The present study aimed to evaluate fumigant toxicity of nine VOs of <em>Myrtus communis</em> (McEO), <em>Citrus sinensis</em> (CsEo), <em>Melaleuca alternifolia</em> (MaEO), <em>Eucalyptus globulus</em> (EgEO), <em>Alllium sativum</em> (GEO), and <em>Brassica juncea</em> (MEO) (four varieties individually) against <em>T. castaneum</em> and <em>C. cephalonica</em>. The fumigant toxicity of VOs varied in the order of GEO > MEO > CsEO > McEO > EgEO > MaEO. Fumigant action of GEO exhibited significant mortality against adults of <em>T. castaneum</em> (LC<sub>50</sub> 1.05 μL/L air, 24 h) followed by MEO (LC<sub>50</sub> 4.90–20.27 μL/L air, 24 h), CsEO (LC<sub>50</sub> 11.92 μL/L air, 24 h), and McEO (LC<sub>50</sub> 28.10 μL/L air, 24 h). In case of <em>C. cephalonica</em> larvae, MEO (LC<sub>50</sub> 9.52–21.55 μL/L air, 72 h) showed the highest response, followed by McEO (LC<sub>50</sub> 33.76 μL/L air, 72 h), CsEO (LC<sub>50</sub> 41.47 μL/L air, 72 h), and GEO (LC<sub>50</sub> 29.16 μL/L air, 72 h). Gas-Chromatography-Mass-Spectrometry (GC-MS) analysis of the most effective GEO revealed presence of diallyl disulfide (62.02 ± 2.48 %) and allyl monosulfide (36.84 ± 2.64 %), whereas MEO indicated abundance of 2-pentenenitrile (78.23 ± 2.69 % to 92.99 ± 2.10 %) in PM 28 (PM28-MEO), PM 30 (PM30-MEO), Pusa Karishma (PK-MEO), and Pusa Jagannath (PJ-MEO), along with trace amounts of allyl isothiocyanate (AITC), 1-butene-4-isothiocyanate, and 5-cyano-1-pentene. The McEO mainly consisted of α-pinene (48.21 ± 2.65 %) and 1,8-cineole (26.86 ± 2.33 %), whereas CsEO was predominantly made up of <em>l-</em>limonene (92.27 ± 3.08 %). <em>In silico</em> modelling depicted favourable binding affinity of AITC with arylalkylamine N-acyltransferase (AANAT, −16.06 kcal/mol) of <em>T. castaneum</em> supported by a hydrogen bond, π-sulfur, π-alkyl, and two alkyl-alkyl interactions. Whereas, 2-pentenenitrile interacted with juvenile hormone esterase (JHE, −15.87 kcal/mol) of <em>C. cephalonica</em> attributed to a π-alkyl, alkyl-alkyl, and two hydrogen bonds, thus explaining remarkable fumigant action of MEO. Further, allyl monosulfide interacted with JHE (−10.25 kcal/mol) of <em>C. cephalonica</em> via five alkyl-alkyl interactions and <em>l-</em>limonene with AANAT (−14.87 kcal/mol) of <em>T. castaneum</em> through two π-alkyl, and six alkyl-alkyl interactions, both resulting in target protein inhibition. These findings highlight the potential of GEO and MEO as natural fumigants for their inclusion in integrated pest management strategies, offering effective and environmentally sustainable solutions for protecting stored grains.</div></div>","PeriodicalId":17019,"journal":{"name":"Journal of Stored Products Research","volume":"114 ","pages":"Article 102736"},"PeriodicalIF":2.7000,"publicationDate":"2025-06-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Journal of Stored Products Research","FirstCategoryId":"97","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S0022474X2500195X","RegionNum":2,"RegionCategory":"农林科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q1","JCRName":"ENTOMOLOGY","Score":null,"Total":0}
引用次数: 0
Abstract
Stored grain insects, Tribolium castaneum (red flour beetle) and Corcyra cephalonica (rice moth) pose significant threats to global food security. In spite of effectiveness of the conventional fumigants, huge concerns raised for adverse effect on environmental and human health, thereby prompting interest in exploitation of plant-derived volatile oils (VOs) as eco-friendly alternatives. The present study aimed to evaluate fumigant toxicity of nine VOs of Myrtus communis (McEO), Citrus sinensis (CsEo), Melaleuca alternifolia (MaEO), Eucalyptus globulus (EgEO), Alllium sativum (GEO), and Brassica juncea (MEO) (four varieties individually) against T. castaneum and C. cephalonica. The fumigant toxicity of VOs varied in the order of GEO > MEO > CsEO > McEO > EgEO > MaEO. Fumigant action of GEO exhibited significant mortality against adults of T. castaneum (LC50 1.05 μL/L air, 24 h) followed by MEO (LC50 4.90–20.27 μL/L air, 24 h), CsEO (LC50 11.92 μL/L air, 24 h), and McEO (LC50 28.10 μL/L air, 24 h). In case of C. cephalonica larvae, MEO (LC50 9.52–21.55 μL/L air, 72 h) showed the highest response, followed by McEO (LC50 33.76 μL/L air, 72 h), CsEO (LC50 41.47 μL/L air, 72 h), and GEO (LC50 29.16 μL/L air, 72 h). Gas-Chromatography-Mass-Spectrometry (GC-MS) analysis of the most effective GEO revealed presence of diallyl disulfide (62.02 ± 2.48 %) and allyl monosulfide (36.84 ± 2.64 %), whereas MEO indicated abundance of 2-pentenenitrile (78.23 ± 2.69 % to 92.99 ± 2.10 %) in PM 28 (PM28-MEO), PM 30 (PM30-MEO), Pusa Karishma (PK-MEO), and Pusa Jagannath (PJ-MEO), along with trace amounts of allyl isothiocyanate (AITC), 1-butene-4-isothiocyanate, and 5-cyano-1-pentene. The McEO mainly consisted of α-pinene (48.21 ± 2.65 %) and 1,8-cineole (26.86 ± 2.33 %), whereas CsEO was predominantly made up of l-limonene (92.27 ± 3.08 %). In silico modelling depicted favourable binding affinity of AITC with arylalkylamine N-acyltransferase (AANAT, −16.06 kcal/mol) of T. castaneum supported by a hydrogen bond, π-sulfur, π-alkyl, and two alkyl-alkyl interactions. Whereas, 2-pentenenitrile interacted with juvenile hormone esterase (JHE, −15.87 kcal/mol) of C. cephalonica attributed to a π-alkyl, alkyl-alkyl, and two hydrogen bonds, thus explaining remarkable fumigant action of MEO. Further, allyl monosulfide interacted with JHE (−10.25 kcal/mol) of C. cephalonica via five alkyl-alkyl interactions and l-limonene with AANAT (−14.87 kcal/mol) of T. castaneum through two π-alkyl, and six alkyl-alkyl interactions, both resulting in target protein inhibition. These findings highlight the potential of GEO and MEO as natural fumigants for their inclusion in integrated pest management strategies, offering effective and environmentally sustainable solutions for protecting stored grains.
期刊介绍:
The Journal of Stored Products Research provides an international medium for the publication of both reviews and original results from laboratory and field studies on the preservation and safety of stored products, notably food stocks, covering storage-related problems from the producer through the supply chain to the consumer. Stored products are characterised by having relatively low moisture content and include raw and semi-processed foods, animal feedstuffs, and a range of other durable items, including materials such as clothing or museum artefacts.