Computation studies of phytocompounds of Papaver somniferum and Boswellia serrata for diabetes management

Abstract

A significant proportion of individuals of various age groups are currently affected by the risk that is diabetes mellitus (DM). Recently, natural or bioactive compounds derived from medicinal plants have been extensively studied for their anti-diabetic properties. Papaver somniferum and Boswellia serrata are important bioactive compounds that could be utilized against diabetes. Therefore, an in-silico investigation of their function as anti-diabetic agents was conducted, inhibiting two vital proteins namely, alpha-amylase and glutamine-fructose-6-phosphate transaminase 1 (GFAT-1) to assess the inhibitory capacity, the phytocompound-receptor docked complex was evaluated with known inhibitors of both important proteins for diabetes. The molecular binding energy and inhibition constant were calculated, as well as the pharmacodynamics and pharmacokinetics characteristics were evaluated. Forty compounds were examined and studied via Lipinski’s rule. On performing molecular docking (MD) analyses on the 39 identified components, (+-)-Teframedine and Morphine are found to be the potential inhibitors of alpha-amylase and GFAT-1, respectively. Further, these compounds should undergo in-vitro studies to support these assertions.