3D-QSAR and Phase Pharmacophore Analysis on Quinazoline EGFR Inhibitors, Insight from Water Involved

来源 :第八届全国化学生物学学术会议 | 被引量 : 0次 | 上传用户:sun88888jian
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Water was found can bridge the binding between quinazolines and epidermal growth factor receptor (EGFR) through hydrogen bonding network at the binding pocket.The N3 atom of the quinazoline ring forms a hydrogen bond to a water molecule, which is observed forming another hydrogen bond with the hydroxyl group of Thr790.The absence of the water bridged hydrogen bonding will hamper the activities of inhibitors.
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