New efficient substrates for semicarbazide-sensitive amine oxidase/VAP-1 enzyme: analysis by SARs and computational docking

…, S García-Vicente, J Fernández-Recio…

Index: Yraola, Francesc; Garcia-Vicente, Silvia; Fernandez-Recio, Juan; Albericio, Fernando; Zorzano, Antonio; Marti, Luc; Royo, Miriam Journal of Medicinal Chemistry, 2006 , vol. 49, # 21 p. 6197 - 6208

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Citation Number: 31

Abstract

Structure activity relationships for semicarbazide-sensitive amine oxidase/vascular adhesion protein-1 (SSAO/VAP-1) were studied using a library of arylalkylamine substrates, with the aim of contributing to the discovery of more efficient SSAO substrates. Experimental data were contrasted with computational docking studies, thereby allowing us to examine the mechanism and substrate-binding affinity of SSAO and thus contribute to the discovery of ...