id	author	title	date	pages	extension	mime	words	sentences	flesch	summary	cache	txt
cord-256855-s4pnq6j7	Li, Maiquan	Discovery of Keap1−Nrf2 small−molecule inhibitors from phytochemicals based on molecular docking	2019-08-11		.txt	text/plain	4111	273	50	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. In this study, molecular docking and 3D−QSAR were applied to evaluate the interaction effects between 178 phytochemicals and the Nrf2 binding site in Keap1. Docking calculation results (Table 1) showed that their binding affinity with Keap1 in descending order was shown and the Average Total_Score were as follows: phenylethanoid glycosides > tocopherols > flavones > flavanols > anthocyanins > flavonols > stibenes > flavanones > chalcones > carotenoids > isoflavonoids > phenolic acids > quinones > others > coumarins > terpenes > alkaloids > organosulfurs. To evaluate their activation effect on Nrf2, 11 different compounds including C3S, L5G, RUT, API, KAEM, αT, COP, MAG, PIP, EA, and ECH from high−, medium−, and low−total−score groups were selected for further studied on a cell model.	./cache/cord-256855-s4pnq6j7.txt	./txt/cord-256855-s4pnq6j7.txt