Structural Flexibility of Cyclosporine A Is Mediated by Amide

Autor: Amber L H, Gray, Carlos A, Steren, Isaac W, Haynes, Guillermo A, Bermejo, Filippo, Favretto, Markus, Zweckstetter, Thanh D, Do
Rok vydání: 2021
Předmět:
Zdroj: The journal of physical chemistry. B. 125(5)
ISSN: 1520-5207
Popis: Falling outside of Lipinski's rule of five, macrocyclic drugs have accessed unique binding sites of their target receptors unreachable by traditional small molecules. Cyclosporin(e) A (CycA), an extensively studied macrocyclic natural product, is an immunosuppressant with undesirable side effects such as electrolytic imbalances. In this work, a comprehensive view on the conformational landscape of CycA, its interactions with Ca
Databáze: OpenAIRE