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Abstract

DOCKING STUDIES OF GLUCAN BASED COMPOUNDS ON DECTIN-1 ENZYME

Varsha V. Joshi* and Sunil H. Ganatra

ABSTRACT

It is reported that Dectin-1 plays a crucial role in recognizing a process called tumor cell-associated glycosylation. It activates anti-tumor immune response. Hence extensive in-silico study executed to know how Dectin-1 interacts with certain known polysaccharides? Three basic polysaccharide class of compounds, β 1,3 glucan, β 1,6 glucan and β 1,3-1,6 glucan and their substituted derivatives were docked insilico with Dectin-1. It is observed that substituted β 1,6 glucan compounds show better binding energy values with Dectin-1. Substitution at R2 by –CN group shows -10.5 kcal/mol. binding energy which is almost double than the natural ligand.

Keywords: Polysaccharides, ? glucan, Binding energy, in-silico, Cancer.


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