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Identification of small-molecule inhibitors of interaction between the BH3 domain and Bcl-xL

✍ Scribed by Degterev, Alexei; Lugovskoy, Alexey; Cardone, Michael; Mulley, Bradley; Wagner, Gerhard; Mitchison, Timothy; Yuan, Junying


Book ID
109773471
Publisher
Nature Publishing Group
Year
2001
Tongue
English
Weight
817 KB
Volume
3
Category
Article
ISSN
1465-7392

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Molecular dynamics study of small molecu
✍ StΓ©phane Acoca; Qizhi Cui; Gordon C. Shore; Enrico O. Purisima πŸ“‚ Article πŸ“… 2011 πŸ› John Wiley and Sons 🌐 English βš– 704 KB

## Abstract We carried out docking and molecular dynamics simulations on ABT‐737 and obatoclax, which are inhibitors of the Bcl‐2 family of proteins. We modeled the binding mode of ABT‐737 with Bcl‐x~L~, Bcl‐2, and Mcl‐1 and examined their dynamical behavior. We found that the binding of the chloro