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ID: ALA1136409

Journal: Bioorg Med Chem Lett

Title: Design of novel N-(2,4-dioxo-1,2,3,4-tetrahydro-thieno[3,2-d]pyrimidin-7-yl)-guanidines as thymidine phosphorylase inhibitors, and flexible docking to a homology model.

Authors: Price ML, Guida WC, Jackson TE, Nydick JA, Gladstone PL, Juarez JC, Doñate F, Ternansky RJ.

Abstract: A novel class of thymidine phosphorylase (TP) inhibitors has been designed based on analogy to the enzyme substrate as well as known inhibitors. Flexible docking studies, using a homology model of human TP, of the designed N-(2,4-dioxo-1,2,3,4-tetrahydro-thieno[3,2-d]pyrimidin-7-yl)-guanidines as well as their synthetic precursors provide insight into the observed experimental trends in binding affinity.

CiteXplore: 12467627

DOI: 10.1016/s0960-894x(02)00828-4