Structure-Based Approach for Discovery of Small Molecule Inhibitors Targeted at Bcl-2

Abstract

Structure-based database searching requires an accurate three-dimensional (3D) structure of Bcl-2. The experimental 3D structures of Bcl-2 have been recently determined. However, when we started this project, the experimental Bcl-2 structure was not determined. Fortunately, high resolution experimental 3 D structures of Bcl-X(L) alone and in complex with a B ak BH3 (Bcl-2 homology domain 3) peptide have been determined. Bcl-2 and Bcl-X(L) share a high degree of homology in their amino acid sequences (45% of identity and 36% of similarity).

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Document Details

Document Type
Technical Report
Publication Date
Sep 01, 2002
Accession Number
ADA411478

Entities

People

  • Shaomeng Wang

Organizations

  • Georgetown University

Tags

DTIC Thesaurus Topics

  • Amino Acids
  • Azo Compounds
  • Biological Products
  • Biomedical Research
  • Breast Cancer
  • Cell Line
  • Cells
  • Databases
  • High Resolution
  • Inhibitors
  • Molecular Dynamics
  • Molecules
  • Neoplasms
  • Organic Compounds
  • Simulations
  • Small Molecules
  • Three Dimensional

Readers

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  • Systems Analysis and Design