Data from: Benzyl alcohol synergistic effect with deltamethrin against Musca domestica with molecular docking of potential modes of action
Data files
Aug 15, 2025 version files 616.87 KB
-
Adulticidal_assay.xlsx
10.65 KB
-
Larvicidal_assay.xlsx
10.62 KB
-
Pupicidal_assay.xlsx
10.58 KB
-
README.md
2.03 KB
-
Supplementary_fig_B.jpeg
161.62 KB
-
Supplemetary_fig_A.jpg
420.37 KB
-
Table_S1.csv
565 B
-
Table_S2.csv
423 B
Abstract
The house fly (Musca domestica Linnaeus, 1758) has developed resistance to several pesticides, necessitating innovative approaches for effective control. This study explores the synergistic effects of benzyl alcohol (BA) on the toxicity of deltamethrin (D) against various life stages of M. domestica larvae, pupae, and adults. Additionally, molecular docking analyses were conducted to investigate interactions with the acetylcholinesterase enzyme (AChE) and voltage-sensitive sodium channel (Vssc). Two formulations of deltamethrin were tested: DBA mix (D 5% dissolved in ethyl alcohol, then mixed with BA at its LC50 concentration) and DBA combination (D 5% dissolved directly in pure BA). In vitro testing revealed significant synergistic effects. For larvae, the LC50 of deltamethrin alone was 0.95 mg/mL, while the DBA mix reduced it to 0.09 mg/mL, yielding a synergism factor of 10.56. For pupae, deltamethrin’s LC50 was 1.32 mg/mL, compared to 0.104 mg/mL for the DBA mix, with a synergism factor of 12.69. The DBA combination also exhibited notable toxicity, with LC50 values of 0.14 mg/mL for larvae and 0.16 mg/mL for pupae, corresponding to synergism factors of 6.79 and 8.80, respectively. Against adult flies, the DBA mix and DBA combination demonstrated high fumigant toxicity, with LC50 values of 0.08 mg/L and 0.09 mg/L air, respectively, and synergism factors of 9.31 and 8.11. Docking analyses showed that deltamethrin exhibited a strong binding affinity to AChE, forming two hydrogen bonds with Lys480 and a pi-sigma interaction with Met351. BA occupied a separate binding pocket in AChE, forming two hydrogen bonds with Met309 and Lys335. Both compounds demonstrated strong, distinct binding affinities, confirming their synergistic inhibition of AChE. Against Vssc, deltamethrin (ΔG = -5.90 kcal/mol) formed a pi-pi interaction with Phe78 and a hydrogen bond with Lys79, while BA (ΔG = -3.79 kcal/mol) interacted with a different pocket via hydrophobic interactions. These findings highlight the potential of combining benzyl alcohol with deltamethrin to overcome insecticide resistance in house fly populations, offering a promising strategy to enhance pest control effectiveness.
Dataset DOI: 10.5061/dryad.12jm63z79
Description of the data and file structure
File: Supplemetary_fig_A.jpg and Supplemetary_fig_B.jpeg
Description: Figure S1. The secondary structure representation using SOPMA online website. The black letters represent the one letter abbreviation of the enzyme’s amino acid sequence, (h) in blue represents the amino acid residues forming alpha helix secondary structure, (c) in orange represents random coils, (e) in red is for extended strands, and (t) in green for beta turn secondary structures. The highest percentage is for Random coil (shown in orange) with a percentage of 50.89% followed by Alpha helix (Hh) (30.78%), then Extended strand (14.45%) and Beta turn (3.90%). M. domestica Acetylcholineesterase (AChE) sequence and their secondary structure representation (A) M. domestica Voltage-sensitive sodium channel protein sequence and its secondary structure representation (B).
File: Table_S1.csv
Description: Table S1. Larvicidal and pupicidal effect of BA alone at the used volumes in DBA. Means in the same column followed by different letters are significantly different (Duncan's multiple range test: P < 0.05).
File: Table_S2.csv
Description: Table S2. Adulticidal effect of BA alone at the used volumes in DBA. Means in the same column followed by different letters are significantly different (Duncan's multiple range test: P < 0.05).
File: Larvicidal_assay.xlsx
Description: Larvicidal activity of DBA against Musca domestica larvae by contact imregnated filter paper
File: Adulticidal_assay.xlsx
Description: Adulticidal activity of DBA against Musca domestica adult by fumigation assay
File: Pupicidal_assay.xlsx
Description: Pupicidal activity of DBA against Musca domestica pupae by contact imregnated filter paper
Statistics of the work
Ten replicates were performed for each treatment, and the results were expressed as mean ± standard error (SE). Analysis of variance (ANOVA) was used to analyze larval mortality data, and Duncan's multiple range tests (p < 0.05) were applied to compare the means. Probit analysis, as described by Finney (1952), was employed to determine the lethal concentrations (LC50 and LC90) and their corresponding 95% confidence limits. All statistical analyses were conducted using SPSS for Windows (version 22.0).
