A computational method for selecting short peptide sequences for inorganic material binding

作者:Nayebi Niloofar; Cetinel Sibel; Omar Sara Ibrahim; Tuszynski Jack A; Montemagno Carlo
来源:Proteins: Structure, Function, and Genetics , 2017, 85(11): 2024-2035.
DOI:10.1002/prot.25356

摘要

Discovering or designing biofunctionalized materials with improved quality highly depends on the ability to manipulate and control the peptide-inorganic interaction. Various peptides can be used as assemblers, synthesizers, and linkers in the material syntheses. In another context, specific and selective material-binding peptides can be used as recognition blocks in mining applications. In this study, we propose a new in silico method to select short 4-mer peptides with high affinity and selectivity for a given target material. This method is illustrated with the calcite (104) surface as an example, which has been experimentally validated. A calcite binding peptide can play an important role in our understanding of biomineralization. A practical aspect of calcite is a need for it to be selectively depressed in mining sites.

  • 出版日期2017-11