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Updated: Jul 28, 2026

Examining BCL-2 Family Function with Large Unilamellar Vesicles
Published on: October 5, 2012
A model for the interaction of paclitaxel with the Bcl-2 loop domain: a chemical approach to induce
1Human Health Research Center, INRS-Institut Armand-Frappier, Université du Quebec, Laval, Canada.
Abstract:
A homology model for human Bcl-2 was built. Paclitaxel and baccatin III were individually docked into the Bcl-2 loop domain. The conformational space of the loop region on ligand binding was explored by molecular dynamics. The ligand-Bcl-2 interaction energy was calculated by minimization in the binding site. It was found that both paclitaxel's core skeleton and its C-13 side chain contribute significantly to its interaction with Bcl-2. A portion of the Bcl-2 loop domain was found to be locked by the bound paclitaxel and baccatin III in a similar conformation.
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