In-Silico Comparative Molecular Docking Studies of Mannan and Mannan Sulphate with Mannose Receptor

In-Silico Comparative Molecular Docking Studies of Mannan and Mannan Sulphate with Mannose Receptor

Abstract

The design of nanoparticles for macrophages targeted delivery is based upon selection of most specific carbohydrate polymers. The expression of mannose receptor contributes the selective delivery of nanoparticles to macrophages with high specificity and selectivity. The mannose receptor plays a pivotal role through strong binding of sulphated polysaccharides with cysteine-rich (Cys-Rich) domain. In an effort to search novel carbohydrate polymer for macrophage targeted drug delivery this study aims to evaluate the interaction of mannan sulphate with mannose receptor by computational molecular docking studies. Comparative docking studies were performed for mannan and mannan sulphate, isolated commercially from the cell wall of baker’s yeast (Saccharomyces cerevisiae) with 1DQO mannose protein by Auto Dock software. Molecular docking studies of mannan sulphate with 1DQO mannose protein exhibited strong binding interactions. The results indicated that the docking score of mannan and mannan sulphate with 1DQO protein were found to be -4.114 and -7.185 respectively. This molecular docking analysis could contribute to the further development of nanoparticles synthesis, which may aid in targeting drugs to specific parts of human body containing macrophages. This study concludes that mannan sulphate with interesting biological and structural properties may serve as valuable lead for nanoparticles synthesis for the treatment of human ailments in close proximity to future.