Exploring the resistance-developing mutations on Ryanodine receptor in diamondback moth and binding mechanism of its activators using computational study

Sindhu, Thangaraj; Venkatesan, T.; Gracy, R. Gandhi; Jalali, S. K.; Rai, Anil

doi:10.1016/j.bej.2017.01.013

Cited by 10 publications

(9 citation statements)

References 38 publications

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“…Target site modification (alteration as a result of amino acid substitution or mutation) is one mechanism of insecticide resistance in insects and has been reported in both agricultural pests and insect vectors of medical importance (Marcombe et al ., ; Du et al ., ; Ribeiro et al ., ; Sindhu et al ., ). Metabolic resistance to insecticides is another common mechanism, whereby elevated activities of detoxification enzymes such as cytochrome P450s, monooxygenases, carboxylesterases and/or glutathione S‐transferases (GSTs) break down insecticides (Baek et al ., ; Sonoda, ; You et al ., ; Traverso et al ., ).…”

Section: Introductionmentioning

confidence: 97%

Involvement of microRNA miR‐2b‐3p in regulation of metabolic resistance to insecticides in Plutella xylostella

Etebari

Afrad

Tang

et al. 2018

Insect Molecular Biology

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The diamondback moth, Plutella xylostella, has developed extremely high levels of resistance to chlorantraniliprole and other classes of insecticides in the field. As microRNAs (miRNAs) play important roles in various biological processes through gene regulation, we examined the miRNA profile of P. xylostella in response to chlorantraniliprole exposure. RNA sequencing analysis showed that insecticide treatment caused significant changes in the abundance of some miRNAs. Increasing exposure time and insecticide concentration induced more dysregulated miRNAs in P. xylostella larvae. We also screened potential target genes for some of the differentially expressed miRNAs (such as miR-2b-3p, miR-14b-5p and let-7-5p), which may play important roles in insecticide resistance development. Exposure of P. xylostella larvae to chlorantraniliprole caused considerable overexpression in the transcript levels of potential target genes cytochrome P450 9f2 (CYP9F2) and 307a1 (CYP307a1). Application of miR-2b-3p and miR-14b-5p mimics significantly suppressed the relative transcript levels of CYP9F2 and CYP307a1, respectively, in a P. xylostella cell line. Furthermore, enrichment of P. xylostella diet with miR-2b-3p mimics significantly increased mortality in deltamethrin-resistant larvae when exposed to deltamethrin. The results suggest that miR-2b-3p may suppress CYP9F2 transcript levels in P. xylostella and consequently inhibit larval detoxification pathways. The findings provide an insight into possible role of miRNAs in regulation of metabolic resistance of insects to insecticides.

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Section: Introductionmentioning

confidence: 97%

Involvement of microRNA miR‐2b‐3p in regulation of metabolic resistance to insecticides in Plutella xylostella

Etebari

Afrad

Tang

et al. 2018

Insect Molecular Biology

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“…Initially, as the “hit” molecule of Sindhu’s research [ 15 ], compound A was successfully prepared in our lab, and we further evaluated the insecticidal effect for the first time. At a test concentration of 200 mg/L, A was found to have good larvicidal activity towards the oriental armyworm ( Mythimna separata Walker) and diamondback moth ( Plutella xylostella L.), with a lethality rate of 60% and 100% (100% means total kill), respectively ( Table 1 ).…”

Section: Resultsmentioning

confidence: 99%

“…Furthermore, based on the optimization result analysis of these compounds, several thioether compounds with the best insecticidal potential were further conducted for derivatization of transforming into sulfoxides and sulfones (compounds In-Iq). [15], compound A was successfully prepared in our lab, and we further evaluated the insecticidal effect for the first time. At a test concentration of 200 mg/L, A was found to have good larvicidal activity towards the oriental armyworm (Mythimna separata Walker) and diamondback moth (Plutella xylostella L.), with a lethality rate of 60% and 100% (100% means total kill), respectively (Table 1).…”

Section: Insecticidal Activitymentioning

confidence: 99%

“…Recently, Sindhu et al carried out a pharmacophore-based virtual screening study to look for potential insect RyR modulators that could offer useful information for insecticide design. Some top-ranked molecules via such research were obtained from a virtual screening of 520,000 compounds in the ChemBridge chemical database using the pharmacophore model they developed [ 15 ]. Regrettably, Sindhu et al did not conduct a further insecticidal bioassay for those “hit” molecules, that is, the experimental validation of their molecular design results from the pharmacophore-based virtual screening.…”

Section: Introductionmentioning

confidence: 99%

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Design, Synthesis and Biological Evaluation of Novel Thienylpyridyl- and Thioether-Containing Acetamides and Their Derivatives as Pesticidal Agents

Yang

Xiong

et al. 2021

Molecules

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Referring to the structural information of the “hit” compound A from the reported pharmacophore-based virtual screening, a series of novel thienylpyridyl- and thioether/sulfoxide/sulfone-containing acetamide derivatives have been designed and synthesized. The structures of new compounds were confirmed by 1H NMR, 13C NMR and HRMS. The single-crystal structure of A was firstly reported. All the new synthesized compounds were evaluated for insecticidal activities on Mythimna separata Walker and Plutella xylostella L. Through a step-by-step structural optimization, the high insecticidal agents, especially towards Plutella xylostella L., have been found, and thienylpyridyl- and sulfone/thioether-containing acetamides Iq, Io, Ib and A, which are comparable with the control insecticides cartap, triflumuron and chlorantraniliprole in the present study, can be used as novel lead structures for new insecticides innovation research. In addition, some of the compounds, e.g., A, Ih, Id, Io and Iq, also exhibited favourable fungicidal activities against Physalospora piricola, Rhizoctonia cerealis and Sclerotinia sclerotiorum and would provide useful guidance for the design and development of new fungicides.

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“…To assess the detailed chemistry reactivity and electronic properties of the molecules, a complete geometry optimization was carried out using hybrid DFT with Berke’s three-parameter exchange potential and the Lee–Yang–Parr correlation functional (B3LYP) and using the 3-21G* basis set. Energy calculations were performed in an aqueous environment using the Poisson–Boltzmann finite (PBF) element method to simulate physiological conditions . Molecular frontier orbitals including the highest occupied molecular orbital (HOMO) and the lowest unoccupied molecular orbital (LUMO) of all compounds were visualized with Maestro implemented in Schrödinger.…”

Section: Methodsmentioning

confidence: 99%

Exploring the Interaction Mechanism of Desmethyl-broflanilide in Insect GABA Receptors and Screening Potential Antagonists by In Silico Simulations

Gao

Zhang

et al. 2020

J. Agric. Food Chem.

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Broflanilide, a novel insecticide, is classified as a negative allosteric modulator (NAM) of insect γ-aminobutyric acid (GABA) receptors (GABARs) as desmethyl-broflanilide (DMBF) allosterically inhibits the GABA-induced responses. The G277M mutation of the Drosophila melanogaster GABAR subunit has been reported to abolish the inhibitory activity of DMBF. The binding mode of DMBF in insect GABARs needs to be clarified to understand the underlying mechanism of this mutation and to develop novel, efficient NAMs of insect GABARs. Here, we found that a hydrogen bond formed between DMBF and G277 of the D. melanogaster GABAR model might be the key interaction for the antagonism of DMBF by in silico simulations. The volume increase induced by the G277M mutation blocks the entrance of the binding pocket, making it difficult for DMBF to enter the binding pocket and thereby decreasing its activity. The following virtual screening and bioassay results identified a novel NAM candidate of insect GABARs. Overall, we reported a possible binding mode of DMBF in insect GABARs and proposed the insensitivity mechanism of the G277M mutant GABAR to DMBF using molecular simulations. The identified NAM candidates might provide more alternatives or potentials for the design of GABAR-targeting insecticides.

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Exploring the resistance-developing mutations on Ryanodine receptor in diamondback moth and binding mechanism of its activators using computational study

Cited by 10 publications

References 38 publications

Involvement of microRNA miR‐2b‐3p in regulation of metabolic resistance to insecticides in Plutella xylostella

Involvement of microRNA miR‐2b‐3p in regulation of metabolic resistance to insecticides in Plutella xylostella

Design, Synthesis and Biological Evaluation of Novel Thienylpyridyl- and Thioether-Containing Acetamides and Their Derivatives as Pesticidal Agents

Exploring the Interaction Mechanism of Desmethyl-broflanilide in Insect GABA Receptors and Screening Potential Antagonists by In Silico Simulations

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