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In silico molecular interaction analysis of LTNF peptide-LT10 with snake venom enzymes.

作者信息

Chavan Sonali G, Deobagkar Deepti D

机构信息

Bioinformatics Centre & Department of Zoology, Center of Advanced Studies, University of Pune, Pune 411007, India.

出版信息

Protein Pept Lett. 2014 Jul;21(7):646-56. doi: 10.2174/0929866521666140320112142.

DOI:10.2174/0929866521666140320112142
PMID:24654849
Abstract

Lethal Toxin Neutralizing Factor (LTNF) isolated from Opossum (Didephis virginiana) has been shown to exhibit anti-venom and anti-allergic property. The small synthetic peptide- LT10 derived from N-terminal of LTNF also showed this property in vivo. We applied molecular modeling, docking and molecular dynamic (MD) simulation techniques to compute the interaction of LT10 peptide with few snake venom enzymes, namely PLA2 from Naja naja and Atrolysin -C from Crotalus atrox. Our in silico interaction analyses provides molecular basis that might account for antivenom activity of LT10 peptide towards these two snake venom toxins. The understanding of such key molecular interactions could be useful for design and development of better anti-snake venom therapies.

摘要

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引用本文的文献

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Computational Studies of Snake Venom Toxins.蛇毒毒素的计算研究。
Toxins (Basel). 2017 Dec 22;10(1):8. doi: 10.3390/toxins10010008.
2
An in silico insight into novel therapeutic interaction of LTNF peptide-LT10 and design of structure based peptidomimetics for putative anti-diabetic activity.基于计算机模拟对LTNF肽-LT10新型治疗相互作用的洞察以及针对假定抗糖尿病活性的基于结构的拟肽设计。
PLoS One. 2015 Mar 27;10(3):e0121860. doi: 10.1371/journal.pone.0121860. eCollection 2015.