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Discovery of a Novel Small-molecule Interleukin-6 Inhibitor Through Virtual Screening Using Artificial Intelligence.

Yoshiaki Sato1, Ikuo Kashiwakura1, Masaru Yamaguchi1

  • 1Department of Radiation Science, Hirosaki University, Graduate School of Health Sciences, Hirosaki, Aomori 036-8564, Japan.

Medicinal Chemistry (Shariqah (United Arab Emirates))
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New small-molecule inhibitors targeting Interleukin-6 (IL-6) were identified through virtual screening. These compounds effectively suppress IL-6 activity, offering a promising alternative to current therapies for inflammatory diseases.

Keywords:
Artificial intelligenceinterleukin-6protein-protein interactionssignal transducer and activator of transcription 3small molecule inhibitorvirtual screening

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Area of Science:

  • Drug Discovery
  • Immunology
  • Biochemistry

Background:

  • Interleukin-6 (IL-6) is a key cytokine in inflammation and autoimmune diseases.
  • Current IL-6 inhibitors (monoclonal antibodies) have limitations including cost and administration route.
  • There is a need for novel, small-molecule IL-6 inhibitors.

Purpose of the Study:

  • To identify and evaluate small-molecule compounds that inhibit Interleukin-6 (IL-6) activity.
  • To assess the potential of these compounds as therapeutic agents for IL-6-mediated conditions.

Main Methods:

  • Virtual screening of a compound library using INTerprotein's Engine for New Drug Design (INTENDD®).
  • Artificial intelligence (AI)-guided refinement of compound selection.
  • Biological activity assessment using the IL-6-dependent 7TD1 cell line.

Main Results:

  • Identified compounds suppressed IL-6-dependent cell growth in a dose-dependent manner.
  • Compounds inhibited IL-6-induced phosphorylation of signal transducer and activator of transcription 3 (STAT3).

Conclusions:

  • The identified compounds demonstrate inhibitory effects on IL-6 stimulus.
  • These findings support the development of novel small-molecule IL-6 inhibitors.