Alchemical Design of Pharmacological Chaperones with Higher Affinity for Phenylalanine Hydroxylase

Alchemical Design of Pharmacological Chaperones with Higher Affinity for Phenylalanine Hydroxylase

Phenylketonuria (PKU) is a rare metabolic disease caused by variations in a human gene, PAH, encoding phenylalanine hydroxylase (PAH), and the enzyme converting the essential amino acid phenylalanine into tyrosine. Many PKU-causing variations compromise the conformational stability of the encoded en...

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Bibliographic Details
Main Authors: María Conde-Giménez, Juan José Galano-Frutos, María Galiana-Cameo, Alejandro Mahía, Bruno L. Victor, Sandra Salillas, Adrián Velázquez-Campoy, Rui M. M. Brito, José Antonio Gálvez, María D. Díaz-de-Villegas, Javier Sancho
Format: Article
Language:English
Published: MDPI AG 2022-04-01
Series:International Journal of Molecular Sciences
Subjects:
phenylketonuria
pharmacological chaperones
lead optimization
alchemical free energy calculations
binding energetics
Online Access:https://www.mdpi.com/1422-0067/23/9/4502

Internet

https://www.mdpi.com/1422-0067/23/9/4502

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