Background: As a metabolic and lifestyle disorder, diabetes mellitus poses a prodigious health risk. Out
of the many key targets, DPP-IV is one of the very imperative therapeutic targets for the treatment of diabetic patients.
Methods: In our current study, we have done the in silico simulations of ADME-T properties for naturally originated
potent DPP-IV inhibitors like quinovic acid, stigmasterol, quinovic acid-3-beta-D-glycopyranoside, zygophyloside E,
and lupeol. Structural topographies associated with different pharmacokinetic properties have been systematically
Results: Glycosylation on quinovic acid is found to be noteworthy for the improvement of pharmacokinetic and
toxicological properties, which leads to the prediction that zygophyloside E can be further tailored down to get the
lead DPP-IV inhibitor.
Conclusion: This assessment provides useful insight into the future development of novel drugs for the treatment of