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
    • Discovery Toxicology
    • upcyte® Hepatocytes
    • Technical Manuals & Product Listing
    • Safety Data Sheets
    • 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
    • Discovery Toxicology
    • upcyte® Hepatocytes
    • Technical Manuals & Product Listing
    • Safety Data Sheets
    • 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

Synthesis and evaluation of 17α-triazolyl and 9α-cyano derivatives of estradiol

Print Friendly, PDF & Email

ABSTRACT

A variety of 17α-triazolyl and 9α-cyano derivatives of estradiol were prepared and evaluated for binding to human ERβ in both a TR-FRET assay, as well as ERβ and ERα agonism in cell-based functional assays. 9α-Cyanoestradiol (5) was nearly equipotent as estradiol as an agonist for both ERβ and ERα. The potency of the 17α-triazolylestradiol analogs is considerably more variable and depends on the nature of the 4-substituent of the triazole ring. While rigid protein docking simulations exhibited significant steric clashing, induced fit docking providing more protein flexibility revealed that the triazole linker of analogs 2d and 2e extends outside of the traditional ligand binding domain with the benzene ring located in the loop connecting helix 11 to helix 12.

To read the full publication, click HERE.

Date of publication: 29 July 2020; Bioorganic & Medicinal Chemistry

Author Information: Edward A. Wetzel (1); Alicia M. Hanson (2); Callie L. Troutfetter (2); Daniel J. Burkett (1); Daniel S. Sem (2); William A. Donaldson (1)

(1) Department of Chemistry, Marquette University, P. O. Box 1881, Milwaukee, WI 53201-1881, United States
(2) School of Pharmacy, Center for Structure-based Drug Design and Development, Concordia University Wisconsin, Mequon, WI 53097, United States

Filed Under: New Publications Tagged With: ERa, ERb, ERα, ERβ

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