Estimating binding free energy of a putative growth factors EGF-VEGF complex - a computational bioanalytical study.
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.
a Institute of Biophotonics, School of Biomedical Science and Engineering, and Biophotonics & Molecular Imaging Research Center (BMIRC) , National Yang-Ming University , Taipei 112 , Taiwan.
Meng-Han
MH
Lin
b Department of Biomedical Imaging and Radiological Sciences , School of Biomedical Science and Engineering & Molecular Imaging Research Center (BMIRC), National Yang-Ming University , Taipei , Taiwan.
C Allen
CA
Chang
a Institute of Biophotonics, School of Biomedical Science and Engineering, and Biophotonics & Molecular Imaging Research Center (BMIRC) , National Yang-Ming University , Taipei 112 , Taiwan.
Wolfgang B
WB
Fischer
D000465:Algorithms; D001665:Binding Sites; D003198:Computer Simulation; D004815:Epidermal Growth Factor / Q000737:chemistry* / Q000378:metabolism; D008958:Models, Molecular; D062105:Molecular Docking Simulation; D056004:Molecular Dynamics Simulation; D011485:Protein Binding; D011487:Protein Conformation; D055503:Protein Multimerization; D042461:Vascular Endothelial Growth Factor A / Q000737:chemistry* / Q000378:metabolism
D042461:Vascular Endothelial Growth Factor A; D004815:Epidermal Growth Factor
EGF/VEGF; binding energies; docking; molecular dynamics simulations; protein–protein interactions