Nuclear Receptor & In Vitro Toxicology Solutions™

Get all the latest news from INDIGO

  • This field is for validation purposes and should be left unchanged.
  • HOME
  • ABOUT
    • About
    • Why INDIGO
    • Key Personnel
      • Board of Directors & Advisors
      • Management
  • PRODUCTS
    • Assays
    • Ortholog Assays
    • Growth Factor Receptors
    • In Vitro Toxicology Platform
    • MDR1 / Human P-Glycoprotein
    • Gene Expression
    • NASH Nuclear Receptors For Research
    • Disease States
    • Live Cell Multiplex
    • Custom Assay Development
  • TECHNICAL
    • Nuclear Receptor Profiling & Panels
    • Assay Kit Platform & Formats
    • FAQ
    • upcyte® Hepatocytes
    • Technical Manuals & Product Listing
    • Product Policies
    • Terms & Conditions
    • Limited Use Disclosures
  • CONTACT US
    • Contact INDIGO
    • Request Information
    • Request a Quote
    • Employment
    • Distributors
  • RESOURCES
    • Blog
    • Nuclear Receptor Resource
    • Scientific Whitepapers from INDIGO
    • New Research Publications
    • Scientific Posters
    • INDIGO Press Releases
    • INDIGO in the News

Nuclear Receptor & In Vitro Toxicology Solutions™

Search site...

± α β γ δ Δ ε ζ κ ω ö ® ™ µ

  • HOME
  • ABOUT
    • About
    • Why INDIGO
    • Key Personnel
      • Board of Directors & Advisors
      • Management
  • PRODUCTS
    • Assays
    • Ortholog Assays
    • Growth Factor Receptors
    • In Vitro Toxicology Platform
    • MDR1 / Human P-Glycoprotein
    • Gene Expression
    • NASH Nuclear Receptors For Research
    • Disease States
    • Live Cell Multiplex
    • Custom Assay Development
  • TECHNICAL
    • Nuclear Receptor Profiling & Panels
    • Assay Kit Platform & Formats
    • FAQ
    • upcyte® Hepatocytes
    • Technical Manuals & Product Listing
    • Product Policies
    • Terms & Conditions
    • Limited Use Disclosures
  • CONTACT US
    • Contact INDIGO
    • Request Information
    • Request a Quote
    • Employment
    • Distributors
  • RESOURCES
    • Blog
    • Nuclear Receptor Resource
    • Scientific Whitepapers from INDIGO
    • New Research Publications
    • Scientific Posters
    • INDIGO Press Releases
    • INDIGO in the News

Discovery of Retinoic Acid-Related Orphan Receptor γt Inverse Agonists via Docking and Negative Image-Based Screening

Print Friendly, PDF & Email

ABSTRACT

Retinoic acid-related orphan receptor γt (RORγt) has a vital role in the differentiation of T-helper 17 (TH17) cells. Potent and specific RORγt inverse agonists are sought for treating TH17-related diseases such as psoriasis, rheumatoid arthritis, and type 1 diabetes. Here, the aim was to discover novel RORγt ligands using both standard molecular docking and negative image-based screening. Interestingly, both of these in silico techniques put forward mostly the same compounds for experimental testing. In total, 11 of the 34 molecules purchased for testing were verified as RORγt inverse agonists, thus making the effective hit rate 32%. The pIC50 values for the compounds varied from 4.9 (11 μM) to 6.2 (590 nM). Importantly, the fact that the verified hits represent four different cores highlights the structural diversity of the RORγt inverse agonism and the ability of the applied screening methodologies to facilitate much-desired scaffold hopping for drug design.

View the full article HERE.

Date of publication: 11 June 2018; ACS Omega

Author information: Sanna Rauhamäki (1); Pekka A. Postila (1); Sakari Lätti (1,2); Sanna Niivivehmas (1,2); Elina Multamäki (1); Klaus R. Liedl (3); & Olli T. Pentikäinen (1,2,3)

(1) Department of Biological and Environmental Science & Nanoscience Center, University of Jyväskylä, P.O. Box 35, Jyväskylä FI-40014 University of Jyvaskyla, Finland
(2) Institute of Biomedicine, Integrative Physiology and Pharmacology, Kiinamyllynkatu 10 C6, University of Turku, FI-20520Turku, Finland
(3) Institute of General, Inorganic and Theoretical Chemistry, Centre for Chemistry and Biomedicine, University of Innsbruck, Innrain 82, A-6020 Innsbruck, Austria

Filed Under: New Publications Tagged With: inverse agonist, RORg, RORγ, RORγt

INDIGO Biosciences - The right partner for all your discovery and toxicology needs.
Search site...
Click to Insert Symbols in Search

α β γ δ Δ ε ζ κ ® ™ µ

Want More Information?

Simply fill out this form and we'll be in touch!

Product Resources

  • Technical Manuals & Product Listing
    • Manuals & Listings: Other Kits
  • Assay Kit Platform & Formats
  • Request a Quote
  • Sample Study Report
  • Study Work Order Form
NRR - Nuclear Receptor Resource

3006 Research Drive, Suite A1, State College, PA, USA 16801

+1 (814) 234-1919

  • Home
  • Products
  • Request a Quote
  • FAQ

© 2020 INDIGO Biosciences, Inc. All Rights Reserved