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Related Experiment Video

Updated: Jan 23, 2026

Manufacturing Of Robust Natural Fiber Preforms Utilizing Bacterial Cellulose as Binder
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KRAS Binders Hidden in Nature.

Andreas Bergner1, Xiaoling Cockcroft1, Gerhard Fischer1

  • 1Boehringer Ingelheim RCV GmbH & Co KG, Doktor-Boehringer-Gasse 5-11, 1120, Vienna, Austria.

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This summary is machine-generated.

Researchers discovered new natural product drug scaffolds targeting KRAS, a key driver in many cancers. This integrated screening approach offers hope for developing treatments for previously undruggable cancer targets.

Keywords:
KRASNMR spectroscopyX-ray crystallographynatural productsvirtual screening

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Area of Science:

  • Drug Discovery
  • Medicinal Chemistry
  • Oncology

Background:

  • Natural products are a vital source of novel drug scaffolds.
  • KRAS is a frequently mutated oncogenic driver in human cancers and remains largely undruggable.
  • Traditional natural product drug discovery methods have limitations.

Purpose of the Study:

  • To develop an integrated approach for natural product screening.
  • To identify novel scaffolds targeting the active form of KRAS (KRASG12D).
  • To overcome limitations in traditional natural product discovery.

Main Methods:

  • Combined virtual screening, fragment-based screening, SAR by NMR, and structure-based drug discovery.
  • Developed a novel "snugness of fit" scoring function.
  • Established the first crystal-soaking system for active KRASG12D.

Main Results:

  • Identified eight new natural product scaffolds for KRAS.
  • Elucidated protein-ligand X-ray structures of a fungal alkaloid and an indoloisoquinolinone.
  • Demonstrated the potential of natural products against oncogenic RAS.

Conclusions:

  • The integrated approach successfully identified novel KRAS inhibitors from natural products.
  • This strategy provides a foundation for developing potent inhibitors of active oncogenic RAS.
  • The approach shows promise for targeting other undruggable proteins.