Xanthine Derivatives: A Molecular Modeling Perspective

Xanthines and its derivatives are a group of alkaloids which are well represented in plants. The xanthine analogs play a key role as adenosine receptors and calcium release channels and therefore can be used as behavioral stimulants. Various such stimulants in the form of bronchodilators, diuretics, natriuretics, analgesic adjuvants, and lipolytics are in use. This mini review focuses on the molecular modeling of xanthine derivatives which, in the recent past, has proved to be a promising avenue for structure-based methods of target identification.