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Discovery of diverse thyroid hormone receptor antagonists by high-throughput docking
 

Summary: Discovery of diverse thyroid hormone receptor
antagonists by high-throughput docking
Matthieu Schapira*
, Bruce M. Raaka
, Sharmistha Das
, Li Fan§
, Maxim Totrov*, Zhiguo Zhou§
, Stephen R. Wilson§
,
Ruben Abagyan*, and Herbert H. Samuels
*Molsoft LLC, 3366 North Torrey Pines Court, Suite 300, La Jolla, CA 92037; Departments of Pharmacology and Medicine, New York University School
of Medicine, 550 First Avenue, New York, NY 10016; and §Department of Chemistry, New York University, 100 Washington Square East, 10th Floor,
New York, NY 10003
Communicated by David D. Sabatini, New York University School of Medicine, New York, NY, March 31, 2003 (received for review November 18, 2002)
Treatment of hyperthyroidism, a common clinical condition that can
have serious manifestations in the elderly, has remained essentially
unchanged for >30 years. Directly antagonizing the effect of the
thyroid hormone at the receptor level may be a significant improve-
ment for the treatment of hyperthyroid patients. We built a computer
model of the thyroid hormone receptor (TR) ligand-binding domain in

  

Source: Abagyan, Ruben - School of Pharmacy and Pharmaceutical Sciences, University of California at San Diego

 

Collections: Biology and Medicine