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Diphenyl-substituted triazine derivatives: synthesis, α-glucosidase inhibitory activity, kinetics and in silico studies.

Shahbaz ShamimKhalid Mohammed KhandMuhammad AliMohammad MahdaviUzma SalarMaryam Mohammadi-KhanaposhtaniMohammad Ali FaramarziNisar UllahMuhammad Taha
Published in: Future medicinal chemistry (2023)
Background: Diabetes mellitus (DM) is a chronic disorder considered a major global health challenge in the 21st century. α-Glucosidase enzyme is a well-known drug target to treat type II DM. Methods: A new library of biphenyl-substituted triazines was synthesized and confirmed by various spectroscopic techniques. Results: All compounds showed potent α -glucosidase inhibitory activity, with IC 50 values ranging from 35.35 ± 0.34 to 564.41 ± 0.91 μM, as the standard acarbose, IC 50 value of 750.7 ± 0.13 μM. Our in silico study has predicted key interactions with the enzyme's active site. Drug-likeness and absorption, distribution, metabolism, excretion and toxicity were also studied. Conclusion: This study has identified a range of potential hits against the α-glucosidase enzyme that may serve as antidiabetic agents after further investigations.
Keyphrases
  • molecular docking
  • molecular dynamics simulations
  • global health
  • public health
  • emergency department
  • oxidative stress
  • mass spectrometry
  • climate change
  • risk assessment
  • weight loss