Length-dependent stability of α-helical peptide upon adsorption to single-walled carbon nanotube
作者： Kanagasabai Balamurugan , Venkatesan Subramanian
DOI: 10.1002/BIP.22185
关键词: DNA supercoil 、 Molecular dynamics 、 Membrane protein 、 Carbon nanotube 、 Globular protein 、 Helix 、 Helicity 、 Crystallography 、 Chemistry 、 Peptide
摘要: Earlier studies have shown that the helical content of α-helical peptide decreases upon its interaction with carbon nanotube (CNT). Further, length α-helix varies from few residues in small globular protein to several number structural and membrane proteins. In proteins, helices are widely present as supercoil i.e., bundles. Thus, this study, length-dependent pattern peptides CNT stability isolated fragment versus supercoiled bundle been investigated using classical molecular dynamics (MD) simulation. Results reveal disruption motif on is directly proportional helix. Also it found shorter helix does not undergo noticeable changes helicity adsorption CNT. On other hand, longer considerably affected by contrast known fact increases length, Comparison results shows higher than fact, chain significant Both inherent unit influence © 2012 Wiley Periodicals, Inc. Biopolymers 99: 357–369, 2013.
sci-hub.se 参考文章(43)
R. Bryan Sutton, Dirk Fasshauer, Reinhard Jahn, Axel T. Brunger, Crystal structure of a SNARE complex involved in synaptic exocytosis at 2.4 Å resolution Nature. ,vol. 395, pp. 347- 353 ,(1998) , 10.1038/26412
Berk Hess, Carsten Kutzner, David van der Spoel, Erik Lindahl, GROMACS 4: Algorithms for highly efficient, load-balanced, and scalable molecular simulation Journal of Chemical Theory and Computation. ,vol. 4, pp. 435- 447 ,(2008) , 10.1021/CT700301Q
G. Grigoryan, Y. H. Kim, R. Acharya, K. Axelrod, R. M. Jain, L. Willis, M. Drndic, J. M. Kikkawa, W. F. DeGrado, Computational Design of Virus-Like Protein Assemblies on Carbon Nanotube Surfaces Science. ,vol. 332, pp. 1071- 1076 ,(2011) , 10.1126/SCIENCE.1198841
Shuichi Nosé, M.L. Klein, Constant pressure molecular dynamics for molecular systems Molecular Physics. ,vol. 50, pp. 1055- 1076 ,(1983) , 10.1080/00268978300102851
H.J.C. Berendsen, D. van der Spoel, R. van Drunen, GROMACS: A message-passing parallel molecular dynamics implementation Computer Physics Communications. ,vol. 91, pp. 43- 56 ,(1995) , 10.1016/0010-4655(95)00042-E
Zijian Guo, Peter J. Sadler, Shik Chi Tsang, Immobilization and Visualization of DNA and Proteins on Carbon Nanotubes Advanced Materials. ,vol. 10, pp. 701- 703 ,(1998) , 10.1002/(SICI)1521-4095(199806)10:9<701::AID-ADMA701>3.0.CO;2-4
Xingchen Zhao, Rutao Liu, Zhenxing Chi, Yue Teng, Pengfei Qin, New Insights into the Behavior of Bovine Serum Albumin Adsorbed onto Carbon Nanotubes: Comprehensive Spectroscopic Studies Journal of Physical Chemistry B. ,vol. 114, pp. 5625- 5631 ,(2010) , 10.1021/JP100903X
Wolfgang Kabsch, Christian Sander, None, Dictionary of protein secondary structure: pattern recognition of hydrogen-bonded and geometrical features Biopolymers. ,vol. 22, pp. 2577- 2637 ,(1983) , 10.1002/BIP.360221211
E. Jayne Wallace, Robert S. G. D'Rozario, Beatriz Mendoza Sanchez, Mark S. P. Sansom, A multiscale simulation study of carbon nanotube interactions with designed amphiphilic peptide helices Nanoscale. ,vol. 2, pp. 967- 975 ,(2010) , 10.1039/B9NR00355J
Wayne R. Fiori, Siobhan M. Miick, Glenn L. Millhauser, Increasing sequence length favors alpha-helix over 3(10)-helix in alanine-based peptides: evidence for a length-dependent structural transition. Biochemistry. ,vol. 32, pp. 11957- 11962 ,(1993) , 10.1021/BI00096A003