1.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
Natural Product Sciences 2021;27(2):99-114
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.
2.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
Natural Product Sciences 2021;27(2):99-114
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.
3.Expression of Stro-1, Runx-2, Osterix, and Alp in Alveolar Bone Regeneration Process Following the Administration of Hydroxyapatite Gypsum Puger (HAGP) Scaffold
Amiyatun Naini ; Agus Sumono ; Rahardyan Parnaadji ; Nike Hendrijantini ; Siti Khaerunnisa
Malaysian Journal of Medicine and Health Sciences 2023;19(No.3):145-151
Introduction: Tooth extraction before denture placement could result in trauma and damage to up to 50% of the
alveolar bone, inducing bone resorption, and affecting the patient’s quality of life. Hydroxyapatite Gypsum Puger
(HAGP) can be used as an alternative to bone graft material which degrades slowly, affecting the proliferation and
activity of cells that are responsible for bone tissue engineering. This study aimed to analyze the regeneration mechanism of alveolar bone by administering the HAGP scaffold and observing the Stro-1, Runx-2, Osterix, and ALP
expression. Methods: Laboratory experimental research was conducted and we used 150-355µm HAGP scaffold
particles, applied in vivo inside alveolar sockets of the rats for 7, 14, and 28 days, followed by immunohistochemical
examination of Stro-1, Runx-2, Osterix, and ALP expressions. Results: The HAGP scaffold group showed that the
Stro-1 expression was significantly higher than the K(-) group, and the Runx-2 expression increased on day 7 and
decreased on day 28 in the HAGP and K(-) groups. Osterix expression increased from day 7, 14, to day 28. The high
expression of Osterix on day 28 means it took over the Runx-2 function. In ALP there was a significant increase on
day 7. ALP expression was a sign of early osteoblast differentiation and production by cells, this extracellular matrix
mineralization is an indicator of the osteogenic process. Conclusion: Alveolar bone regeneration mechanism in rats
revealed that the expression of Stro-1, Runx-2, Osterix, and ALP was higher in the HAGP scaffold group compared
to the control group on days 7,14, and 28.