Patulin induces ROS-dependent cardiac cell toxicity by inducing DNA damage and activating endoplasmic reticulum stress apoptotic pathway

Zhang, Baigang; Huang, Chenghui; Xu, Dongmei; Huang, Ke; Li, Yang; Jiao, Lu; Fu, Binggang; Li, Subing; Li, Yi

doi:10.1016/j.ecoenv.2023.115784

Cited by 3 publications

(1 citation statement)

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“…Patulin can induce the generation of cytotoxin-involving reactive oxygen species (ROS), cytochrome c release in mitochondria, the uptake of cytosolic Ca 2+ , caspase-3 activation, cell cycle arrest, and cell apoptosis [ 16 , 17 ]. Furthermore, patulin causes the destruction of DNA damage, chromosome abnormalities, and the appearance of micronuclei in mammalian cells [ 18 , 19 , 20 , 21 ]. Early in the past century, it was indicated that patulin exhibited the potential not only in inhibiting seed germination but also seedling growth of wheat, indicating an interesting herbicidal activity [ 22 ].…”

Section: Introductionmentioning

confidence: 99%

Structure-Based Design, Virtual Screening, and Discovery of Novel Patulin Derivatives as Biogenic Photosystem II Inhibiting Herbicides

Wang,

Zhang,

et al. 2024

Plants

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Computer-aided design usually gives inspirations and has become a vital strategy to develop novel pesticides through reconstructing natural lead compounds. Patulin, an unsaturated heterocyclic lactone mycotoxin, is a new natural PSII inhibitor and shows significant herbicidal activity to various weeds. However, some evidence, especially the health concern, prevents it from developing as a bioherbicide. In this work, molecular docking and toxicity risk prediction are combined to construct interaction models between the ligand and acceptor, and design and screen novel derivatives. Based on the analysis of a constructed patulin–Arabidopsis D1 protein docking model, in total, 81 derivatives are designed and ranked according to quantitative estimates of drug-likeness (QED) values and free energies. Among the newly designed derivatives, forty-five derivatives with better affinities than patulin are screened to further evaluate their toxicology. Finally, it is indicated that four patulin derivatives, D3, D6, D34, and D67, with higher binding affinity but lower toxicity than patulin have a great potential to develop as new herbicides with improved potency.

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