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자료유형
학술저널
저자정보
Arisvia Sukma Hariftyani (Universitas Airlangga) Lady Aqnes Kurniawati (Universitas Airlangga) Siti Khaerunnisa (Universitas Airlangga) Anna Surgean Veterini (Universitas Airlangga – Dr. Soetomo General Hospital) Yuani Setiawati (Universitas Airlangga) Rizki Awaluddin (University of Darussalam Gontor)
저널정보
한국생약학회 Natural Product Sciences Natural Product Sciences Vol.27 No.2
발행연도
2021.6
수록면
99 - 114 (16page)
DOI
10.20307/nps.2021.27.2.99

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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.

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Abstract
Introduction
Experimental
Results and Discussion
References

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