Continued SAR exploration of 1,2,4-thiadiazole-containing scaffolds in the design of free fatty acid receptor 1 (GPR40) agonists

Mikhail Krasavin, Alexei Lukin, Anna Bakholdina, Nikolay Zhurilo, Oleksandra Onopchenko, Petro Borysko, Sergey Zozulya, Daniel Moore, Irina G Tikhonova

Research output: Contribution to journalArticle

5 Citations (Scopus)

Abstract

An earlier reported series of 1,2,4-thiadiazole-based agonists of FFA1 (GPR40) was evolved into two structurally distinct series of compounds. One of the series (structurally related to known FFA1 agonist GW9508) displayed low micromolar potency while the other (representing a truncated version of the earlier reported potent FFA1 agonists) was, surprisingly, found to be devoid of agonist potency. In silico docking of representative compounds into the crystal structure of FFA1 revealed possible structural grounds for the observed SAR.

Original languageEnglish
Pages (from-to)229-238
Number of pages10
JournalEuropean journal of medicinal chemistry
Volume140
Early online date13 Sep 2017
DOIs
Publication statusEarly online date - 13 Sep 2017

Keywords

  • Journal Article

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