Recent advances in structure-based drug design and virtual screening of VEGFR tyrosine kinase inhibitors
Publication in refereed journal

香港中文大學研究人員
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其它資訊
摘要During the past decade, developments in computational processing and X-ray crystallography have allowed virtual screening become integrated into drug discovery campaigns. This review focuses on the recent advancements in the drug discovery of VEGFR2 tyrosine kinase inhibitors (VEGFR2 TKIs) by using in silico methodologies. An introduction for the methodology framework of pharmacophore modeling, molecular docking and structure-based design are provided. We discuss the recent studies on the structures of VEGFR2 protein kinase in different binding modes, and the insights on molecular interactions gained from knowledge of the co-crystal structures complex with structurally diverse VEGFR2 inhibitors. We provide some aspects of model construction and molecular docking techniques. Several representative examples of successful applications on VEGFR2 virtual screening for hit discovery, lead optimization and structure-based design are also presented.
著者Hoi P.M., Li S., Vong C.T., Tseng H.H.L., Kwan Y.W., Lee S.M.Y.
期刊名稱Methods
出版年份2015
月份1
日期1
卷號71
期次C
出版社Academic Press
出版地United States
頁次85 - 91
國際標準期刊號1046-2023
電子國際標準期刊號1095-9130
語言英式英語
關鍵詞Molecular docking, Pharmacophore modeling, VEGFR2, VEGFR2 inhibitors, Virtual screening

上次更新時間 2020-25-09 於 11:36