Druggability of lead compounds from turmeric (Curcuma longa)

Abstract

Curcumin (diferuloylmethane), the main bioactive component of turmeric, has been proved to have a wide spectrum of biological actions through several pharmacological studies. However, cheminformatics approaches are seldom used in these studies. In silico approaches can help in identifying better drug candidates that are safe, besides cutting down the high costs. In this study, in silico tools were applied to chemical compounds in turmeric for the first time to predict their biological activities and druggability. The druggability of these compounds was checked by using the Lipinski’s scoring functions such as Log P, molecular weight, number of hydrogen bond donors and number of hydrogen bond acceptors. The results of these in silico studies indicate that, in contrast to curcumin, several other compounds in turmeric exhibit better activities which have to be confirmed by both pharmacological and clinical studies.