
Revealing the Macromolecular Targets of Fragment-Like Natural Products.
Fragment-like natural products were identified as ligand-efficient chemical matter for hit-to-lead development and chemical-probe discovery. Relying on a computational method using a topological pharmacophore descriptor and a drug database, several macromolecular targets from distinct protein families were expeditiously retrieved for structurally unrelated chemotypes. The selected fragments feature structural dissimilarity to the reference compounds and suitable target affinity, and they offer opportunities for chemical optimization. Experimental confirmation of hitherto unknown macromolecular targets for the selected molecules corroborate the usefulness of the computational approach and suggests broad applicability to chemical biology and molecular medicine.
Duke Scholars
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- Organic Chemistry
- Macromolecular Substances
- Biological Products
- 34 Chemical sciences
- 03 Chemical Sciences
Citation

Published In
DOI
EISSN
ISSN
Publication Date
Volume
Issue
Start / End Page
Related Subject Headings
- Organic Chemistry
- Macromolecular Substances
- Biological Products
- 34 Chemical sciences
- 03 Chemical Sciences