Natural Product Sciences

The Korean Society of Pharmacognosy (한국생약학회)
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In Silico Analysis of Potential Antidiabetic Phytochemicals from Matricaria chamomilla L. against PTP1B and Aldose Reductase for Type 2 Diabetes Mellitus and its Complications

  • Hariftyani, Arisvia Sukma (Faculty of Medicine, Universitas Airlangga) ;
  • Kurniawati, Lady Aqnes (Faculty of Medicine, Universitas Airlangga) ;
  • Khaerunnisa, Siti (Department of Physiology and Medical Biochemistry, Faculty of Medicine, Universitas Airlangga) ;
  • Veterini, Anna Surgean (Department of Anesthesiology and Intensive Care, Faculty of Medicine, Universitas Airlangga - Dr. Soetomo General Hospital) ;
  • Setiawati, Yuani (Department of Anatomy-Histology and Pharmacology, Faculty of Medicine, Universitas Airlangga) ;
  • Awaluddin, Rizki (Department of Pharmacy. Faculty of Health Science, University of Darussalam Gontor)
  • Received : 2021.01.14
  • Accepted : 2021.04.25
  • Published : 2021.06.30
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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.

Keywords

Acknowledgement

The authors would like to thank the Dean of Faculty of Medicine, Universitas Airlangga, who kindly support this in silico study.

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