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Pure Appl. Chem., 2012, Vol. 84, No. 1, pp. 49-64

Published online 2011-12-16

Structural studies on the interaction of saccharides and glycomimetics with galectin-1: A 3D perspective using a combined molecular modeling and NMR approach

Sonsoles Martín-Santamaría1, Hans-Joachim Gabius2 and Jesús Jiménez-Barbero3

1 Department of Chemistry, Faculty of Pharmacy, Universidad San Pablo CEU, 28668-Boadilla del Monte, Madrid, Spain
2 Institut für Physiologische Chemie, Tierärztliche Fakultät, Ludwig-Maximilians-Universität, München, Veterinärstrasse 13, 80539 München, Germany
3 Department of Chemical and Physical Biology, CIB-CSIC, Ramiro de Maeztu 9, 28040 Madrid, Spain

Abstract: The interaction of a variety of saccharides and mimetics thereof with lectin receptors has been studied using a combination of molecular modeling protocols and NMR spectroscopy techniques. It is shown that both methods complement each other in a synergistic manner to provide a detailed perspective of the conformational and structural features of the recognition process.