In silico elucidation of Boesenbergia rotunda phytoconstituents against diabetes mellitus

Abstract

Introduction: Herbal medicine has become a well-chosen treatment to reduce the negative effects of diabetes
mellitus (DM) and its serious complications due to its side effects and low cost. Material and Methods: Plants of
the Zingiberaceae family, for example, Boesenbergia rotunda, Renealmia alpinia, and Zingiber zerumbet have been
extensively investigated for their phytoconstituents and molecular mechanisms. This study aims to examine the price for tramadol
molecular interactions that exist between the various bioactive chemicals in B. rotunda and that targeted proteins
associated with type 2 DM. Molecular docking studies were done to assess the binding mode and interactions of
synthesized hits at binding site of receptors. Results: Results of in silico studies showed that polyphenols and
flavonoids have excellent drug-likeness properties, pharmacokinetic profile against DM targets such as peroxisome
proliferator-activated receptor gamma (PPARG), dipeptidyl peptidase 4 (DPP4), and α-glucosidase. Molecular
docking results highlighted five of top 10 interactions correspond to pinocembrin, alpinetin, and pinostrobin with
DPP4, α-glucosidase, and PPARG; pinocembrin and silybin with PPARG. These proteins involved in regulating the
functions such as inflammation, insulin resistance, oxidative stress, glucose, and lipid metabolism. Conclusion: This
work provides a cheapest tramadol dynamic state of B. rotunda, especially flavonoids that show their diabetic benefits.