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Computational modelling demonstrates predictive amino acid descriptors for anti-herpes simplex virus peptides, highlighting a path toward novel antiviral lead discovery.
There are a number of diseases associated with herpes simplex virus infections, and although there are available treatments, there is still a need for new therapies. Some peptides have proved to have an antiviral effect, but the high flexibility and complex mode of action makes it difficult to obtain reliable quantitative structure–activity relationships. In this article, we report on the use of theoretically derived amino acid descriptors for the modelling of peptide activity as a mean to find lead compounds based on biologically active peptides.
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Jenssen et al. (2005) studied this question.
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