Experimental free ligand conformations: a missing link in structure-based drug discovery

Future Med Chem. 2019 Jan;11(2):79-82. doi: 10.4155/fmc-2018-0339. Epub 2019 Jan 16.

Authors

Elisabetta Chiarparin¹, Martin J Packer², David M Wilson¹

Affiliations

¹ Medicinal Chemistry, Oncology, IMED Biotech Unit, AstraZeneca, Cambridge, UK.
² Medicinal Chemistry, Oncology, IMED Biotech Unit, AstraZeneca, Alderley Park, UK.

PMID: 30648432
DOI: 10.4155/fmc-2018-0339

No abstract available

Keywords: NMR; free ligand conformations; medicinal chemistry; protein structure; structure-based drug discovery; x-ray.

MeSH terms

Crystallography, X-Ray / methods
Drug Design*
Drug Discovery* / methods
Humans
Ligands
Magnetic Resonance Spectroscopy / methods
Molecular Conformation
Protein Binding
Proteins / chemistry
Proteins / metabolism*
Small Molecule Libraries / chemistry
Small Molecule Libraries / pharmacology*
Structure-Activity Relationship

Substances

Ligands
Proteins
Small Molecule Libraries