Structural Optimization of Marine Natural Product Pretrichodermamide B for the Treatment of Colon Cancer by Targeting the JAK/STAT3 Signaling Pathway

J Med Chem. 2024 Jul 11;67(13):10783-10794. doi: 10.1021/acs.jmedchem.4c00278. Epub 2024 Jun 18.

Abstract

Marine natural product (MNP) pretrichodermamide B (Pre B, 9) was identified as a novel STAT3 inhibitor in our previous work, while its metabolic instability hindered its further development. To address this drawback, ligand structure-based drug design was adopted leading to a series of Pre B derivatives. Among them, MNP trichodermamide B (tri B, 24) obtained by skeletal rearrangement exhibited more potent antiproliferative activity with an IC50 value of 0.12 μM against HCT116. Notably, 24 stood out with improved metabolic stability (T1/2 = 31 min) and more favorable oral bioavailability (F = 37.5%). Further studies indicated that 24 blocked JAK/STAT3 signaling in dose- and time-dependent manner. In vivo, 24 suppressed tumor growth (TGI = 65%) at a dose of 20 mg/kg in a HCT116-derived xenograft mouse model. Overall, 24 might be a promising lead compound for colon cancer and is worthy of further investigation.

MeSH terms

  • Animals
  • Antineoplastic Agents* / chemical synthesis
  • Antineoplastic Agents* / chemistry
  • Antineoplastic Agents* / pharmacology
  • Antineoplastic Agents* / therapeutic use
  • Biological Products* / chemical synthesis
  • Biological Products* / chemistry
  • Biological Products* / pharmacology
  • Cell Proliferation / drug effects
  • Colonic Neoplasms* / drug therapy
  • Colonic Neoplasms* / pathology
  • Drug Screening Assays, Antitumor
  • HCT116 Cells
  • Humans
  • Janus Kinases* / antagonists & inhibitors
  • Janus Kinases* / metabolism
  • Mice
  • Mice, Inbred BALB C
  • Mice, Nude
  • Molecular Structure
  • STAT3 Transcription Factor* / antagonists & inhibitors
  • STAT3 Transcription Factor* / metabolism
  • Signal Transduction* / drug effects
  • Structure-Activity Relationship
  • Xenograft Model Antitumor Assays

Substances

  • Antineoplastic Agents
  • Biological Products
  • Janus Kinases
  • STAT3 protein, human
  • STAT3 Transcription Factor
  • trichodermamide B