Journal
BIOORGANIC & MEDICINAL CHEMISTRY LETTERS
Volume 21, Issue 21, Pages 6314-6318Publisher
PERGAMON-ELSEVIER SCIENCE LTD
DOI: 10.1016/j.bmcl.2011.08.117
Keywords
Acetyl-CoA carboxylase; Spirolactone; 2-Ureidobenzothiophene
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The co-crystal structure of the human acetyl-coenzyme A 2 (ACC2) carboxyl transferase domain and the reported compound CP-640186 (1b) suggested that two carbonyl groups are essential for potent ACC2 inhibition. By focusing on enhancing the interactions between the two carbonyl groups and the amino acid residues Gly(2162) and Glu(2230), we used ligand-and structure-based drug design to discover spirolactones bearing a 2-ureidobenzothiophene moiety (C) 2011 Elsevier Ltd. All rights reserved.
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