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Protein Science, Vol 3, Issue 7 1128-1130, Copyright © 1994 by Cold Spring Harbor Laboratory Press

FOR THE RECORD

Structural similarity between binding sites in influenza sialidase and isocitrate dehydrogenase: Implications for an alternative approach to rational drug design

A. R. POIRRETTE, P. J. ARTYMIUK, H. M. GRINDLEY, D. W. RICE and P. WILLETT
Department of Information Studies and Department of Molecular Biology and Biotechnology, Krebs Institute, Sheffield University, Sheffield S10 2TN, United Kingdom

Using searching techniques based on algorithms derived from graph theory, we have established a similarity between a 3-dimensional cluster of side chains implicated in drug binding in influenza sialidase and side chains involved in isocitrate binding in Escherichia coli isocitrate dehydrogenase. The possible implications of the use of such comparative methods in drug design are discussed.
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