Theoretical studies on the glucosamine: A systematic review

Abstract

This systematic review aimed to identify and analyze theoretical studies on glucosamine. Data were searched in the databases containing the keyword glucosamine and at least one of the keywords: Density Functional Theory (DFT), Molecular Dynamics or Monte Carlo. The search was done in the databases Science Direct, Scopus, and Web of Science. A total of 250 publications from 2004 to 2018. From the 250 publications 19 were selected for detailed analysis using the inclusion and exclusion criterions. From the 19 selected articles, 18 employed the density functional theory, and only 1 used the Monte Carlo simulation. No article using molecular dynamics simulation was found. Given the importance of glucosamine in biological systems and industrial processes, the results of this review show the need for studies of glucosamine using ab initio molecular dynamics simulation for a better understanding of the mechanisms of interaction of glucosamine with solvents and/or metal ions.