Theoretical study of a nonpeptidic polydisulfide α-helix

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作   者：

Benjamin Rudshteyn;  Alvaro Castillo;  Alexander Greer; 

作者机构：

Brooklyn College of CUNY;  NY;  USA;  Brooklyn;  Department of Chemistry and Graduate Center; 

关键词：

peptide mimics;  carbon-sulfur polymers;  secondary structure;  disulfides;  α-helices; 

期刊名称：

Journal of sulfur chemistry

i s s n：

1741-5993

年卷期：

2013 年 34 卷 1/6 期

页   码：

3-6

页   码：

摘   要：

A carbon-sulfur molecule has been designed as a mimic of peptides. Density functional theory calculations showed that the oxidation of 10 moles of methanedithiol led to a polydisulfide oligomer, HS(CH2SS)9CH2SH. The polydisulfide can adopt an α-helix type of secondary structure, where the chain is coiled. Unlike proteins, the S-S bonds in the polydisulfide function as secondary rather than tertiary structural elements. The helix contains 8 non-hydrogen atoms per turn, 2.7 A methylenes per turn, a pitch distance of 8.6A, and a radius of 1.00A. The methylene sites could carry R group residues similar to amino acids.