title: Structural similarity between binding sites in influenza sialidase and isocitrate dehydrogenase: implications for an alternative approach to rational drug design.
abstract: 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.
authors.affiliation: Department of Information Studies, Krebs Institute, Sheffield University, United Kingdom.
authors.forename: A R
authors.initials: AR
authors.lastname: Poirrette
authors.forename: P J
authors.initials: PJ
authors.lastname: Artymiuk
authors.forename: H M
authors.initials: HM
authors.lastname: Grindley
authors.forename: D W
authors.initials: DW
authors.lastname: Rice
authors.forename: P
authors.initials: P
authors.lastname: Willett
mesh_terms: D000465:Algorithms; D001665:Binding Sites; D015195:Drug Design; D007521:Isocitrate Dehydrogenase / Q000737:chemistry* / Q000378:metabolism; D008958:Models, Molecular; D015394:Molecular Structure; D009439:Neuraminidase / Q000737:chemistry* / Q000378:metabolism; D009975:Orthomyxoviridae / Q000201:enzymology*
chemical_list: D007521:Isocitrate Dehydrogenase; D009439:Neuraminidase