Residential College | false |
Status | 已發表Published |
Recent Advances in the Discovery and Development of Protein-Protein Interaction Modulators by Virtual Screening | |
Ma D.-L.1; Liu L.-J.2; Lin S.1; Wang M.1; Chan D.S.-H.1; Leung C.-H.2 | |
2015-11-24 | |
Source Publication | Frontiers in Computational Chemistry |
Publisher | Elsevier Inc. |
Pages | 121-157 |
Abstract | The expanding knowledge of the critical roles played by protein-protein interactions in cell proliferation, differentiation and apoptosis has highlighted proteinprotein interfaces as promising therapeutic targets for the treatment of various human diseases. However, targeting protein-protein interfaces is considered a particularly challenging task as protein interfaces are usually large and featureless, and lack well-defined cavities or binding contacts for small molecule recognition. Furthermore, the flexibility of protein-protein interfaces may lead to the formation of transient binding pockets that may be absent in the static structure of the free protein target or the proteinprotein complex. Despite these inherent challenges, virtual screening has recently emerged as a powerful technique complementing traditional high-throughput screening technologies in identifying new protein-protein interaction modulators. The rapid virtual screening of chemical libraries could weed out non-binding candidates in silico, thereby greatly reducing the operational costs associated with chemical synthesis and in vitro screening. This review aims to provide an introductory framework for the use of virtual screening in drug discovery and serves to highlight successful examples of the identification of novel protein-protein interaction modulators by virtual screening techniques. |
Keyword | Computer-aided Drug Discovery Drug Development Molecular Docking Protein-protein Interactions Virtual Screening |
DOI | 10.1016/B978-1-60805-865-5.50004-6 |
URL | View the original |
Language | 英語English |
ISBN | 9781608058655; |
Volume | 1 |
WOS ID | WOS:000402276100005 |
Scopus ID | 2-s2.0-84966769110 |
Fulltext Access | |
Citation statistics | |
Document Type | Book chapter |
Collection | Institute of Chinese Medical Sciences |
Affiliation | 1.Hong Kong Baptist University 2.University of Macau |
Recommended Citation GB/T 7714 | Ma D.-L.,Liu L.-J.,Lin S.,et al. Recent Advances in the Discovery and Development of Protein-Protein Interaction Modulators by Virtual Screening[M]. Frontiers in Computational Chemistry:Elsevier Inc., 2015, 121-157. |
APA | Ma D.-L.., Liu L.-J.., Lin S.., Wang M.., Chan D.S.-H.., & Leung C.-H. (2015). Recent Advances in the Discovery and Development of Protein-Protein Interaction Modulators by Virtual Screening. Frontiers in Computational Chemistry, 1, 121-157. |
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