Identification of Key Residues Associated with the Interaction between Plutella xylostella Sigma-Class Glutathione S-Transferase and the Inhibitor S-Hexyl Glutathione,Journal of Agricultural and Food Chemistry

当前位置： X-MOL 学术 › J. Agric. Food Chem. › 论文详情

Our official English website, www.x-mol.net, welcomes your feedback! (Note: you will need to create a separate account there.)

Identification of Key Residues Associated with the Interaction between Plutella xylostella Sigma-Class Glutathione S-Transferase and the Inhibitor S-Hexyl Glutathione
Journal of Agricultural and Food Chemistry ( IF 5.7 ) Pub Date : 2018-09-12 00:00:00 , DOI: 10.1021/acs.jafc.8b03967
Jiyuan Liu ₁ , Yifan Li ₁ , Zhen Tian ₂ , Hong Sun ₁ , Xi’en Chen ₃ , Shengli Zheng ₄ , Yalin Zhang ₁

Affiliation

Glutathione S-transferases (GSTs) are important detoxification enzymes involved in the development of metabolic resistance in Plutella xylostella. Uncovering the interactions between representative PxGSTs and the inhibitor S-hexyl glutathione (GTX), helps in the development of effective PxGST inhibitors for resistance management. As the PxGST most severely inhibited by GTX, PxGSTσ (sigma-class PxGST) adopts the canonical fold of insect GSTs. The formation of the PxGSTσ–GTX complex is mainly driven by H-bond and hydrophobic interactions derived from the side chains of favorable residues. Of the residues composing the active site of PxGSTσ, Lys43 and Arg99 are two hot spots, first reported in the binding of GSH derivatives to GSTs. Such differences indicate the metabolism discrimination of different insect GSTs. Unfavorable interactions between the PxGSTσ active site and GTX are depicted as well. The research guides the discovery and optimization of PxGSTσ inhibitors.

中文翻译：

小菜蛾小菜碱Sigma-谷胱甘肽S-转移酶与抑制剂S-己基谷胱甘肽相互作用的关键残基的鉴定

谷胱甘肽S-转移酶（GSTs）是重要的解毒酶，参与了小菜蛾的新陈代谢抗性的发展。发现代表性PxGST与抑制剂S之间的相互作用己基谷胱甘肽（GTX）有助于开发有效的PxGST抑制剂以进行耐药性管理。作为受GTX抑制最严重的PxGST，PxGSTσ（西格玛级PxGST）采用昆虫GST的规范折叠。PxGSTσ–GTX配合物的形成主要是由有利残基侧链衍生的H键和疏水相互作用驱动的。在组成PxGSTσ活性位点的残基中，Lys43和Arg99是两个热点，首先报道了GSH衍生物与GST的结合。这种差异表明不同昆虫GST的代谢区别。还描述了PxGSTσ活动位点与GTX之间的不利相互作用。该研究指导了PxGSTσ抑制剂的发现和优化。

更新日期：2018-09-12

点击分享查看原文

点击收藏

阅读更多本刊最新论文本刊介绍/投稿指南11