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. - (2024). [10.1016/b978-0-323-95502-7.00202-5].
Finding Second-Generation Pharmacochaperones: Getting Help From Computational Methods
Parrone, Damiano;Pascarella, Stefano;Via, Allegra;
2024
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.I documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.


