A computationally designed binding mode flip leads to a novel class of potent tri-vector cyclophilin inhibitors

Cyclophilins (Cyps) are a major family of drug targets that are challenging to prosecute with small molecules because the shallow nature and high degree of conservation of the active site across human isoforms offers limited opportunities for potent and selective inhibition. Herein a computational a...

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Detalles Bibliográficos
Autores principales: De Simone, Alessio, Georgiou, Charis, Ioannidis, Harris, Gupta, Arun A., Juárez-Jiménez, Jordi, Doughty-Shenton, Dahlia, Blackburn, Elizabeth A., Wear, Martin A., Richards, Jonathan P., Barlow, Paul N., Carragher, Neil, Walkinshaw, Malcolm D., Hulme, Alison N., Michel, Julien
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Royal Society of Chemistry 2018
Materias:
Chemistry
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6335623/
https://www.ncbi.nlm.nih.gov/pubmed/30746096
http://dx.doi.org/10.1039/c8sc03831g

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