Investigation of the Novel Lead of Melanocortin 1 Receptor for Pigmentary Disorders
Name
ECAM.2014.254678.pdf
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4.78 MB
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Adobe PDF
Checksum (MD5)
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Author(s)
Tang, Hsin-Chieh
Chen, Calvin Yu-Chian
Date Issued
February 2014
Journal
Evidence-Based Complementary and Alternative Medicine
Publisher
Hindawi Publishing Corporation
Citation
Tang, Hsin-Chieh, and Calvin Yu-Chian Chen. “Investigation of the Novel Lead of Melanocortin 1 Receptor for Pigmentary Disorders.” Evidence-Based Complementary and Alternative Medicine 2014 (2014): 1–13.
Version
Final published version
Abstract
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.
MIT Department
Massachusetts Institute of Technology. Computational and Systems Biology Program
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Creative Commons Attribution
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DOI of Published Version
https://doi.org/10.1155/2014/254678
