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Structural similarity between binding sites in influenza sialidase and isocitrate dehydrogenase: Implications for an alternative approach to rational drug design
Author(s) -
Poirrette Andrew R.,
Grindley Helen M.,
Rice David W.,
Artymiuk Peter J.,
Willett Peter
Publication year - 1994
Publication title -
protein science
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 3.353
H-Index - 175
eISSN - 1469-896X
pISSN - 0961-8368
DOI - 10.1002/pro.5560030719
Subject(s) - isocitrate dehydrogenase , sialidase , computational biology , docking (animal) , binding site , graph , biochemistry , similarity (geometry) , rational design , chemistry , biology , stereochemistry , neuraminidase , enzyme , computer science , genetics , theoretical computer science , medicine , nursing , artificial intelligence , image (mathematics)
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.