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Bioinformatics and Biosimulations as Toolbox for Peptides and Peptidomimetics Design: Where Are We? by Ilda D’Annessa; Francesco Saverio Di Leva; Anna La Teana; Ettore Novellino; Vittorio Limongelli; Daniele Di Marino is a Biochemistry, Genetics and Molecular Biology article available to read on EtoBox.
What is Bioinformatics and Biosimulations as Toolbox for Peptides and Peptidomimetics Design: Where Are We? about?
Peptides and peptidomimetics are strongly re-emerging as amenable candidates in the development of therapeutic strategies against a plethora of pathologies. In particular, these molecules are extremely suitable to treat diseases in which a major role is played by protein–protein interactions (PPIs). Unlike small organic compounds, peptides display both a high degree of specificity avoiding secondary off-targets effects and a relatively low degree of toxicity. Further advantages are provided by the possibility to easily conjugate peptides to functionalized nanoparticles, so improving their delivery and cellular uptake. In many cases, such molecules need to assume a specific three-dimensional conformation that resembles the bioactive one of the endogenous ligand. To this end, chemical modifications are introduced in the polypeptide chain to constrain it in a well-defined conformation, and to improve the drug-like properties. In this context, a successful strategy for peptide/peptidomimetics design and optimization is to combine different computational approaches ranging from structural bioinformatics to atomistic simulations. Here, we review the computational tools for peptide design
Who reads Bioinformatics and Biosimulations as Toolbox for Peptides and Peptidomimetics Design: Where Are We??
It is typically read by researchers, students, and practitioners in Biochemistry, Genetics and Molecular Biology.
- Author
- Ilda D’Annessa; Francesco Saverio Di Leva; Anna La Teana; Ettore Novellino; Vittorio Limongelli; Daniele Di Marino
- Publisher
- Frontiers Media SA
- Published
- 2020
- Language
- EN
- Field
- Biochemistry, Genetics and Molecular Biology (Life Sciences)