In silico analysis of potential antidiabetic phytochemicals from Matricaria chamomilla l. Against ptp1b and aldose reductase for type 2 diabetes mellitus and its complications

Arisvia Sukma Hariftyani, Lady Aqnes Kurniawati, Siti Khaerunnisa, Anna Surgean Veterini, Yuani Setiawati, Rizki Awaluddin

Research output: Contribution to journalArticlepeer-review

5 Citations (Scopus)

Abstract

Type 2 diabetes mellitus (T2DM) and its complications are important noncommunicable diseases with high mortality rates. Protein tyrosine phosphatase 1B (PTP1B) and aldose reductase inhibitors are recently approached and advanced for T2DM and its complications therapy. Matricaria chamomilla L. is acknowledged as a worldwide medicinal herb that has many beneficial health effects as well as antidiabetic effects. Our research was designed to determine the most potential antidiabetic phytochemicals from M. chamomilla employing in silico study. 142 phytochemicals were obtained from the databases. The first screening employed iGEMdock and Swiss ADME, involving 93 phytochemicals. Finally, 30 best phytochemicals were docked. Molecular docking and visualization analysis were performed using Avogadro, AutoDock 4.2., and Biovia Discovery Studio 2016. Molecular docking results demonstrate that ligand-protein interaction's binding affinities were -5.16 to -7.54 kcal/ mol and -5.30 to -12.10 kcal/mol for PTP1B and aldose reductase protein targets respectively. In silico results demonstrate that M. chamomilla has potential antidiabetic phytochemical compounds for T2DM and its complications. We recommended anthecotulide, quercetin, chlorogenic acid, luteolin, and catechin as antidiabetic agents due to their binding affinities against both PTP1B and aldose reductase protein. Those phytochemicals' significant efficacy and potential as antidiabetic must be investigated in further advanced research.

Original languageEnglish
Pages (from-to)99-114
Number of pages16
JournalNatural Product Sciences
Volume27
Issue number2
DOIs
Publication statusPublished - 2021

Keywords

  • Aldose reductase
  • In silico
  • Matricaria chamomilla L
  • Molecular docking
  • PTP1B
  • Type 2 diabetes mellitus

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