An article Discovery of Keap1-Nrf2 small – molecule inhibitors from phytochemicals based on molecular docking WOS:000491684000040 published article about OXIDATIVE STRESS; IN-VITRO; SIGNALING PATHWAY; NRF2; ANTIOXIDANTS; INFLAMMATION; DERIVATIVES; EXPRESSION; FLAVONOIDS; 3D-QSAR in [Li, Maiquan; Jie, Fan; Wang, Mengmeng; Zhong, Yongheng; Chen, Qi; Lu, Baiyi] Zhejiang Univ, Natl Engn Lab Intelligent Food Technol & Equipmen, Zhejiang Key Lab Agrofood Proc,Fuli Inst Food Sci, Minist Agr,Coll Biosyst Engn & Food Sci,Key Lab A, Hangzhou 310058, Zhejiang, Peoples R China; [Li, Maiquan] Hunan Agr Univ, Coll Food Sci & Technol, Changsha 410208, Hunan, Peoples R China; [Huang, Weisu] Zhejiang Econ & Trade Polytech, Dept Appl Technol, Hangzhou 310018, Zhejiang, Peoples R China in 2019.0, Cited 31.0. HPLC of Formula: C15H12O. The Name is Chalcone. Through research, I have a further understanding and discovery of 94-41-7
Various phytochemicals have been reported to protect against oxidative stress. However, the mechanism underlying has not been systematically evaluated, which limited their application in disease treatment. Nuclear factor erythroid 2 – related factor 2 (Nrf2), a central transcription factor in oxidative stress response related to numerous diseases, is activated after dissociating from the cytoskeleton – anchored Kelch – like ECH – associated protein 1 (Keap1). The Keap1-Nrf2 protein-protein interaction has become an important drug target. This study was designed to clarify whether antioxidantive phytochemicals inhibit the Keap1-Nrf2 protein-protein interaction and activate the Nrf2-ARE signaling pathway efficiently. Molecular docking and 3D – QSAR were applied to evaluate the interaction effects between 178 antioxidant phytochemicals and the Nrf2 binding site in Keap1. The Nrf2 activation effect was tested on a H2O2 – induced oxidative – injured cell model. Results showed that the 178 phytochemicals could be divided into high – , medium – , and low – total -score groups depending on their binding affinity with Keap1, and the high total – score group consisted of 24 compounds with abundant oxygen or glycosides. Meanwhile, these compounds could bind with key amino acids in the structure of the Keap1 – Nrf2 interface. Compounds from high – total – score group show effective activation effects on Nrf2. In conclusion, phytochemicals showed high binding affinity with Keapi are promising new Nrf2 activators.
About Chalcone, If you have any questions, you can contact Li, MQ; Huang, WS; Jie, F; Wang, MM; Zhong, YH; Chen, Q; Lu, BY or concate me.. HPLC of Formula: C15H12O
Reference:
Thiazolidine – Wikipedia,
,Thiazolidine – ScienceDirect.com