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Journal of Chemistry
Volume 2013, Article ID 278742, 7 pages
Research Article

Molecular Modeling Studies of Piperidine Derivatives as New Acetylcholinesterase Inhibitors against Neurodegenerative Diseases

1Departamento de Química, Campus Universitário—UFLA, Universidade Federal de Lavras, 37200-000 Lavras, MG, Brazil
2Laboratory of Molecular Modeling Applied to Chemical and Biological Defense (LMCBD), Military Institute of Engineering, Rio de Janeiro, Brazil

Received 19 April 2013; Revised 7 September 2013; Accepted 15 September 2013

Academic Editor: George Psomas

Copyright © 2013 Elaine F. F. da Cunha et al. 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

Movie, created with the program VMD, showing the dynamical behavior of compound 2 inside AChE during the 20 ns of simulation. For better clarity only residues Trp84, Glu199, Ser200, and His440 (involved in hydrophobic interactions with compound 2) are shown. No H-bond interaction was observed during the simulation time.

  1. Supplementary Material