Evaluation of Anticariogenic and Remineralization Potential of the Cocoa Varnish Through In Vitro and Software Simulation Studies

Abstract

The present study was conducted to evaluate anticariogenic and remineralizationpotential of developed cocoa varnish using in-vitro and software simulation studies. Catechins, Epicatechin, and Theobromine bioactive compounds were isolated from Cocoa beans using Preparative High-PerformanceLiquid Chromatography(HPLC). The UV-Vis Spectroscopy, Fourier-Transform Infrared Spectroscopy(FTIR), Mass Spectroscopy (MS), and Nuclear Magnetic Resonance Spectroscopy (NMR) wasused for characterization of the isolated bioactive compounds. The biological activity of isolated bioactive compounds against selected Streptococcus mutanstargets and pharmacokineticsproperties such asAbsorption, Distribution, Metabolism, Excretion, and Toxicity(ADME/T) were assessed using in-silico molecular docking study. The cytotoxic effects of the isolated bioactive compounds were assessed using in-vitro cell-based MTT assay. These isolated compounds were formulated in to five different cocoa varnishes.