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Evidence-Based Complementary and Alternative Medicine
Volume 2014 (2014), Article ID 254678, 13 pages
Research Article

Investigation of the Novel Lead of Melanocortin 1 Receptor for Pigmentary Disorders

1Department of Biomedical Informatics, Asia University, Taichung 41354, Taiwan
2Department of Medicine, China Medical University, Taichung 40402, Taiwan
3Department of Biotechnology, Asia University, Taichung 41354, Taiwan
4China Medical University Beigang Hospital, Yunlin 65152, Taiwan
5Computational and Systems Biology, Massachusetts Institute of Technology, Cambridge, MA 02139, USA

Received 18 November 2013; Revised 15 December 2013; Accepted 15 December 2013; Published 17 February 2014

Academic Editor: Fuu-Jen Tsai

Copyright © 2014 Hsin-Chieh Tang and Calvin Yu-Chian Chen. 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.


Knowing the role of MC1R in skin tanning can provide a brand new idea to resolve pigmentary disorders. αMSH has 13 amino acids and is the most essential pigmentary melanocortin responsible for melanin synthesis. One could utilize the compound library to find lead compounds by virtual screening from peptide database and traditional Chinese medicine (TCM) database@Taiwan. Computational simulation provided a convenient technology to survey potential lead. Ligand-based validation set up the reliable model for molecular dynamics simulation. Molecular dynamics simulation approved the binding affinity and stability of the peptides selected by virtual screening. Thus, we concluded that Glu-Glu-Lys-Glu (EEKE), Glu-Gly-Gly-Ser-Val-Glu-Ser (EGGSVES), and Glu-Glu-Asp-Cys-Lys (EEDCK) were potent lead peptides for MC1R to resolve pigmentary disorders.