期刊
BIOORGANIC & MEDICINAL CHEMISTRY LETTERS
卷 21, 期 21, 页码 6314-6318出版社
PERGAMON-ELSEVIER SCIENCE LTD
DOI: 10.1016/j.bmcl.2011.08.117
关键词
Acetyl-CoA carboxylase; Spirolactone; 2-Ureidobenzothiophene
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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