Design, synthesis, and docking study of saccharin N-triazolyl glycoconjugates
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Date
2024
Journal Title
Carbohydrate Research
Journal ISSN
Volume Title
Publisher
Elsevier Ltd
Abstract
To achieve better-repurposed motifs, saccharin has been merged with biocompatible sugar molecules via a 1,2,3-triazole linker, and ten novel 1,2,3-triazole-appended saccharin glycoconjugates were developed in good yield by utilizing modular CuAAC click as regioselective triazole forming tool. The docking study indicated that the resulting hybrid molecules have an overall substantial interaction with the CAXII macromolecule. Moreover, the galactose triazolyl saccharin analogue 3h has a binding energy of ?8.5 kcal/mol with 5 H-bonds, and xylosyl 1,2,3-triazolyl saccharin analogue 3d has a binding energy of ?8.2 kcal/mol with 6 H-bond interactions and have exhibited the highest binding interaction with the macromolecule system. � 2024 Elsevier Ltd
Description
Keywords
Anti-cancer activity, Click chemistry, Docking study, Glycoconjugate, Saccharin