Table of Contents
Journal of Theoretical Chemistry
Volume 2013, Article ID 739574, 7 pages
Research Article

Molecular Dynamics Simulation of VEGFR2 with Sorafenib and Other Urea-Substituted Aryloxy Compounds

1Tianjin Key Laboratory of Molecular Design and Drug Discovery, Tianjin Institute of Pharmaceutical Research, Tianjin 300193, China
2State Key Laboratory of Drug Delivery Technology and Pharmacokinetics, Tianjin Institute of Pharmaceutical Research, Tianjin 300193, China

Received 26 April 2013; Accepted 10 October 2013

Academic Editors: A. Kokalj, M. Koyama, T. Takayanagi, and H.-Y. Zhang

Copyright © 2013 Fancui Meng. This is an open access article distributed under the Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.

Supplementary Material

Supplementary Figure 1: Hydrophobic surface of VEGFR2-sorafenib.

Supplementary Figure 2: Bond angle variations along MD simulation.

Supplementary Figure 3: Hydrogen bond existence map of compounds 12-22.

Supplementary Table 1: Structure of compounds 12-22 and their VEGFR-2 inhibitory, computed interaction energies.

  1. Supplementary Materials