DOI: 10.5061/dryad.12jm63z79
title: Data from: Benzyl alcohol synergistic effect with deltamethrin against Musca domestica with molecular docking of potential modes of action

description: 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.
description: <strong>Statistics of the work</strong>
 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 &lt; 0.05) were applied to compare the means. Probit
 analysis, as described by Finney (1952), was employed to determine the
 lethal concentrations (LC<sub>50</sub> and
 LC<sub>90</sub>) and their corresponding 95% confidence
 limits. All statistical analyses were conducted using SPSS for Windows
 (version 22.0).
description: # Data from: Benzyl alcohol synergistic effect with deltamethrin against
 Musca domestica with molecular docking of potential modes of action
 Dataset DOI: [10.5061/dryad.12jm63z79](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 &lt; 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 &lt; 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