The aim of this chapter is to present computational methods that can assist in finding second generation pharmacological chaperones. These pharmacochaperones are molecules capable of stabilizing proteins without inhibiting their activity. Computational methods can be used in the early stages of the search for these compounds, either by applying them to the analysis of the protein target or to the screening of promising molecules. The application of these methods can improve the discovery of these compounds, reducing costs and time and expanding the chemical space of research, thus favouring the discovery of promising therapies for currently untreatable diseases.

Finding Second-Generation Pharmacochaperones: Getting Help From Computational Methods / Verdino, Anna; Scafuri, Bernardina; Parrone, Damiano; D'Arminio, Nancy; Pascarella, Stefano; Via, Allegra; Marabotti, Anna. - (2025), pp. 680-689. [10.1016/b978-0-323-95502-7.00202-5].

Finding Second-Generation Pharmacochaperones: Getting Help From Computational Methods

Parrone, Damiano;Pascarella, Stefano;Via, Allegra;
2025

Abstract

The aim of this chapter is to present computational methods that can assist in finding second generation pharmacological chaperones. These pharmacochaperones are molecules capable of stabilizing proteins without inhibiting their activity. Computational methods can be used in the early stages of the search for these compounds, either by applying them to the analysis of the protein target or to the screening of promising molecules. The application of these methods can improve the discovery of these compounds, reducing costs and time and expanding the chemical space of research, thus favouring the discovery of promising therapies for currently untreatable diseases.
2025
Encyclopedia of Bioinformatics and Computational Biology 2nd edition - Reference Module in Life Sciences
9780128096338
978-0-323-95503-4
Conformational diseases; Docking; Molecular dynamics simulations; Mutations; Pharmacological chaperones; Protein destabilization; Protein dynamics; Protein structure; Rare diseases; Virtual screening
02 Pubblicazione su volume::02a Capitolo o Articolo
Finding Second-Generation Pharmacochaperones: Getting Help From Computational Methods / Verdino, Anna; Scafuri, Bernardina; Parrone, Damiano; D'Arminio, Nancy; Pascarella, Stefano; Via, Allegra; Marabotti, Anna. - (2025), pp. 680-689. [10.1016/b978-0-323-95502-7.00202-5].
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/11573/1732694
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