Skip to main content
Journal cover image

Revealing the Macromolecular Targets of Fragment-Like Natural Products.

Publication ,  Journal Article
Rodrigues, T; Reker, D; Kunze, J; Schneider, P; Schneider, G
Published in: Angewandte Chemie (International ed. in English)
September 2015

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

Altmetric Attention Stats
Dimensions Citation Stats

Published In

Angewandte Chemie (International ed. in English)

DOI

EISSN

1521-3773

ISSN

1433-7851

Publication Date

September 2015

Volume

54

Issue

36

Start / End Page

10516 / 10520

Related Subject Headings

  • Organic Chemistry
  • Macromolecular Substances
  • Biological Products
  • 34 Chemical sciences
  • 03 Chemical Sciences
 

Citation

APA
Chicago
ICMJE
MLA
NLM
Rodrigues, T., Reker, D., Kunze, J., Schneider, P., & Schneider, G. (2015). Revealing the Macromolecular Targets of Fragment-Like Natural Products. Angewandte Chemie (International Ed. in English), 54(36), 10516–10520. https://doi.org/10.1002/anie.201504241
Rodrigues, Tiago, Daniel Reker, Jens Kunze, Petra Schneider, and Gisbert Schneider. “Revealing the Macromolecular Targets of Fragment-Like Natural Products.Angewandte Chemie (International Ed. in English) 54, no. 36 (September 2015): 10516–20. https://doi.org/10.1002/anie.201504241.
Rodrigues T, Reker D, Kunze J, Schneider P, Schneider G. Revealing the Macromolecular Targets of Fragment-Like Natural Products. Angewandte Chemie (International ed in English). 2015 Sep;54(36):10516–20.
Rodrigues, Tiago, et al. “Revealing the Macromolecular Targets of Fragment-Like Natural Products.Angewandte Chemie (International Ed. in English), vol. 54, no. 36, Sept. 2015, pp. 10516–20. Epmc, doi:10.1002/anie.201504241.
Rodrigues T, Reker D, Kunze J, Schneider P, Schneider G. Revealing the Macromolecular Targets of Fragment-Like Natural Products. Angewandte Chemie (International ed in English). 2015 Sep;54(36):10516–10520.
Journal cover image

Published In

Angewandte Chemie (International ed. in English)

DOI

EISSN

1521-3773

ISSN

1433-7851

Publication Date

September 2015

Volume

54

Issue

36

Start / End Page

10516 / 10520

Related Subject Headings

  • Organic Chemistry
  • Macromolecular Substances
  • Biological Products
  • 34 Chemical sciences
  • 03 Chemical Sciences