Docking of Selected Natural Polyphenols to ARF Activated A1 Subunit of Cholera Toxin

Črtomir Podlipnik

Faculty of Chemistry and Chemical Technology, Aškerčeva 5, 1000 Ljubljana, Slovenia
* Corresponding author: E-mail: crtomir.podlipnik@fkkt.uni-lj.si

Abstract
Natural products containing polyphenols are traditional drugs to treat diarrheal diseases such as cholera. One of the suggested mechanisms of action of these compounds is inhibition of ADP-ribosylation induced by cholera toxin. In this study we used docking methods to explore the ability of polyphenols to bind to the binding site for NAD⁺ of the CTA₁:ARF₆-GTP complex (Science 2005, 309, 1093). Docking results show that catechins may enter into the binding site of CTA₁. Epigallocatechin gallate, theaflavin-3,3’-digallate, 1,2,3,6-tetra-O-galloyl-D-glucose are the best binders among studied compounds.

Keywords: Cholera Toxin, ADP-ribosylation, natural polyphenols, molecular docking