Novel Inhibitor of Glutamate-Cysteine Ligase Catalytic Subunit against Tribolium castaneum: High-Throughout Virtual Screening, Molecular Docking and Dynamics Simulation, and Bioassay DOI
Kum-Chol Kim, Peng Chen, Chengjun Li

et al.

Journal of Agricultural and Food Chemistry, Journal Year: 2024, Volume and Issue: 72(32), P. 17813 - 17823

Published: July 31, 2024

The enzyme glutamate-cysteine ligase catalytic subunit (Gclc) is a rate-limiting in the biosynthesis of glutathione that involved antioxidant defense, detoxification xenobiotics, and/or its metabolites and regulates cell cycle immune function. Therefore, Gclc presents an appealing target for development novel insecticides. In this study, we conducted high-throughput virtual screening from ZINC20 database identified three compounds with high binding affinity to Tribolium castaneum (TcGclc). Ultimately, selected ZINC000032992384 due superior stability lowest energy, as determined through molecular dynamics simulations. Bioassay results revealed IC50 value was 19.70 μM lower than BSO (49.67 μM). Furthermore, larval mortality treated group 63.8%, significantly higher controls (29.1% dichlorvos 6.4% acetone group). This study provides insights Gclc-targeted inhibitor potent insecticide based on interaction between receptors ligands.

Language: Английский

Mifepristone protects acetaminophen induced liver injury through NRF2/GSH/GST mediated ferroptosis suppression DOI
Yanyun Shi,

Nahua Xu,

B Liu

et al.

Free Radical Biology and Medicine, Journal Year: 2024, Volume and Issue: 222, P. 229 - 243

Published: June 19, 2024

Language: Английский

Citations

9
Functional Characterization and Putative Regulatory Mechanism of an RNAi Efficiency-Related Nuclease (REase) in the Fall Armyworm, Spodoptera frugiperda DOI

Xiaoyang Zhou,

Jiaping Wei,

Huichen Ge

et al.

Journal of Agricultural and Food Chemistry, Journal Year: 2024, Volume and Issue: 72(8), P. 3973 - 3983

Published: Feb. 16, 2024

The lepidopteran-specific RNAi efficiency-related nuclease (REase) has been shown to contribute double-strand RNA (dsRNA) degradation in several lepidopteran insects. However, little is known about its regulatory mechanism. In this study, we identified and characterized SfREase Spodoptera frugiperda. exposure of the third-instar larvae dsEGFP high temperature led upregulation SfREase, whereas starvation treatment resulted downregulation SfREase. Further experiments revealed that dsRNA degraded more slowly hemolymph or midgut fluid extracted from dsSfREase-injected dsSfREase-ingested compared with those dsEGFP-treated larvae, recombinant a concentration-dependent manner. Additionally, knockdown improved efficiency. Finally, both dual-luciferase reporter assay Sf9 cells negatively regulated by FOXO. These data provide insights into function mechanism REase have applied implications for development an RNAi-based control strategy S.

Language: Английский

Citations

3
Novel Inhibitor of Glutamate-Cysteine Ligase Catalytic Subunit against Tribolium castaneum: High-Throughout Virtual Screening, Molecular Docking and Dynamics Simulation, and Bioassay DOI
Kum-Chol Kim, Peng Chen, Chengjun Li

et al.

Journal of Agricultural and Food Chemistry, Journal Year: 2024, Volume and Issue: 72(32), P. 17813 - 17823

Published: July 31, 2024

The enzyme glutamate-cysteine ligase catalytic subunit (Gclc) is a rate-limiting in the biosynthesis of glutathione that involved antioxidant defense, detoxification xenobiotics, and/or its metabolites and regulates cell cycle immune function. Therefore, Gclc presents an appealing target for development novel insecticides. In this study, we conducted high-throughput virtual screening from ZINC20 database identified three compounds with high binding affinity to Tribolium castaneum (TcGclc). Ultimately, selected ZINC000032992384 due superior stability lowest energy, as determined through molecular dynamics simulations. Bioassay results revealed IC50 value was 19.70 μM lower than BSO (49.67 μM). Furthermore, larval mortality treated group 63.8%, significantly higher controls (29.1% dichlorvos 6.4% acetone group). This study provides insights Gclc-targeted inhibitor potent insecticide based on interaction between receptors ligands.

Language: Английский

Citations

0