Estimating binding free energy of a putative growth factors EGF–VEGF complex – a computational bioanalytical study

Meng Han Lin, C. Allen Chang, Wolfgang B. Fischer*

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

4 Scopus citations

Abstract

Epidermal growth factor (EGF) and homodimeric vascular endothelial growth factor (VEGF) bind to cell surface receptors. They are responsible for cell growth and angiogenesis, respectively. Docking of the individual proteins as monomeric units using ZDOCK 2.3.2 reveals a partial blocking of the receptor binding site of VEGF by EGF. The receptor binding site of EGF is not affected by VEGF. The calculated binding energy is found to be intermediate between the binding energies calculated for Alzheimer’s Aß42 and the barnase/barstar complex.

Original languageEnglish
Pages (from-to)1717-1724
Number of pages8
JournalJournal of Biomolecular Structure and Dynamics
Volume34
Issue number8
DOIs
StatePublished - 2 Aug 2016

Keywords

  • EGF/VEGF
  • binding energies
  • docking
  • molecular dynamics simulations
  • protein–protein interactions

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