Complex peptide macrocycle optimization: combining NMR restraints with conformational analysis to guide structure-based and ligand-based design

Systematic optimization of large macrocyclic peptide ligands is a serious challenge. Here, we describe an approach for lead-optimization using the PD-1/PD-L1 system as a retrospective example of moving from initial lead compound to clinical candidate. We show how conformational restraints can be der...

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Detalles Bibliográficos
Autores principales: Jain, Ajay N., Brueckner, Alexander C., Jorge, Christine, Cleves, Ann E., Khandelwal, Purnima, Cortes, Janet Caceres, Mueller, Luciano
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Springer International Publishing 2023
Materias:
Articles
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10505130/
https://www.ncbi.nlm.nih.gov/pubmed/37535171
http://dx.doi.org/10.1007/s10822-023-00524-2

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10505130/
https://www.ncbi.nlm.nih.gov/pubmed/37535171
http://dx.doi.org/10.1007/s10822-023-00524-2

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