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Recent advances in structure-based drug design and virtual screening of VEGFR tyrosine kinase inhibitors
Pui Man Hoi2; Shang Li2; Chi Teng Vong2; Hisa Hui Ling Tseng2; Yiu Wa Kwan1; Simon Ming-Yuen Lee2
2015
Source PublicationMethods
ISSN10959130 10462023
Volume71Issue:CPages:85-91
Abstract

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.

KeywordMolecular Docking Pharmacophore Modeling Vegfr2 Vegfr2 Inhibitors Virtual Screening
DOI10.1016/j.ymeth.2014.09.004
URLView the original
Indexed BySCI
WOS Research AreaBiochemistry & Molecular Biology
WOS SubjectBiochemical Research Methods ; Biochemistry & Molecular Biology
WOS IDWOS:000348264200012
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Cited Times [WOS]:15   [WOS Record]     [Related Records in WOS]
Document TypeJournal article
CollectionInstitute of Chinese Medical Sciences
Affiliation1.School of Biomedical Sciences, Faculty of Medicine, The Chinese University of Hong Kong, Shatin, N.T., Hong Kong, China
2.State Key Laboratory of Quality Research in Chinese Medicine and Institute of Chinese Medical Sciences, University of Macau, Avenida da Universidade, Taipa, Macao, China
First Author AffilicationInstitute of Chinese Medical Sciences
Recommended Citation
GB/T 7714
Pui Man Hoi,Shang Li,Chi Teng Vong,et al. Recent advances in structure-based drug design and virtual screening of VEGFR tyrosine kinase inhibitors[J]. Methods,2015,71(C):85-91.
APA Pui Man Hoi,Shang Li,Chi Teng Vong,Hisa Hui Ling Tseng,Yiu Wa Kwan,&Simon Ming-Yuen Lee.(2015).Recent advances in structure-based drug design and virtual screening of VEGFR tyrosine kinase inhibitors.Methods,71(C),85-91.
MLA Pui Man Hoi,et al."Recent advances in structure-based drug design and virtual screening of VEGFR tyrosine kinase inhibitors".Methods 71.C(2015):85-91.
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