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In silico screening of quadruplex-binding ligands
Ma D.-L.1; Ma V.P.Y.1; Chan D.S.H.1; Leung K.-H.1; Zhong H.-J.2,3; Leung C.-H.2,3
Source PublicationMethods

Recent advances in computational processing power and molecular docking algorithms have facilitated the development of computer-aided methods for the rapid and efficient discovery of G-quadruplex-interacting molecules. In this article, we provide an introductory framework for the methodology of . in silico screening for the identification of novel DNA G-quadruplex ligands from chemical libraries. We discuss aspects of model construction, database selection and molecular docking techniques, and highlight representative examples from this field. Finally, we offer a perspective on the potential application of . in silico techniques for the discovery of RNA G-quadruplex-binding ligands in the future.

KeywordG-quadruplex High-throughput In Silico Ligands Molecular Docking Virtual Screening
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Indexed BySCIE
WOS Research AreaBiochemistry & Molecular Biology
WOS SubjectBiochemical Research Methods ; Biochemistry & Molecular Biology
WOS IDWOS:000307912100013
The Source to ArticleScopus
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Cited Times [WOS]:29   [WOS Record]     [Related Records in WOS]
Document TypeJournal article
CollectionInstitute of Chinese Medical Sciences
Corresponding AuthorMa D.-L.
Affiliation1.Department of Chemistry, Hong Kong Baptist University, Kowloon Tong, Hong Kong, China
2.Institute of Chinese Medical Sciences, University of Macau, Macao, China
3.State Key Laboratory of Quality Research in Chinese Medicine, University of Macau, Macao, China
Recommended Citation
GB/T 7714
Ma D.-L.,Ma V.P.Y.,Chan D.S.H.,et al. In silico screening of quadruplex-binding ligands[J]. Methods,2012,57(1):106-114.
APA Ma D.-L.,Ma V.P.Y.,Chan D.S.H.,Leung K.-H.,Zhong H.-J.,&Leung C.-H..(2012).In silico screening of quadruplex-binding ligands.Methods,57(1),106-114.
MLA Ma D.-L.,et al."In silico screening of quadruplex-binding ligands".Methods 57.1(2012):106-114.
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