Discovery of Novel Ecdysteroid Antagonist Leads by Structure-based Virtual Screening
Insect growth is regulated by the steroid hormone 20-hydroxyecdysone (20E) which works through the ecdysone receptor (EcR). Because of its important role in insect development and metamorphosis, ecdysteroids(such as 20E) represent an attractive resource for research and design of new pest control agents. However, considering with the complicated core structure and poor hydrophobicity, ecdysteroids are not suitable for direct use in pest control. Therefore, discovering the novel EcR lead compounds is a meaningful work. In the present work, we report the studies of structure-based virtual screening combining with pharmacophore model and molecular docking to discover novel ecdysteroid lead compounds.
ecdysone receptor ecdysteroid antagonist pharmacophore molecular docking virtual screening
Li Zhang Bin Yin Yun Ling Guy Smagghe Xinling Yang
PMDD Lab. , Department of Applied Chemistry, College of Science China Agricultural University, Beiji Laboratory of Agrozoology, Department of Crop Protection, Faculty of Bioscience Engineering, Ghent U
国际会议
北京
英文
354-355
2012-09-15（万方平台首次上网日期，不代表论文的发表时间）