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Roxburghine B and OxoxylopinePotential as Hepcidin Antagonist Insilico for Inflammatory Anemia Safirah . Yotriana; Yuliana Heri Suselo; Muthmainah . .
Nexus Biomedika Vol 6, No 2 (2017): Nexus Biomedika
Publisher : Nexus Biomedika

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Introduction: Anemia affects half a billion women in the world and become a problem, especially in pregnant women. One of the cause of anemia is inflammatory disease which also has a high prevalence in Indonesia. Therapies currently used to treat anemia are based on the underlying disease. Anticalin is a protein that works as hepcidin antagonist. Anticalin has completed the clinical phase II, but it has not been distributed to public market yet. Therefore, a new, easily accessible and more effective drug is required. Indonesian herbs have been widely used as medicinal plants in the community and are potential to be developed as drugs. The purpose of this study is to identify Indonesian phytochemicals that can act as hepcidin antagonist. Methods: The research was a bioinformatics study with molecular docking method. Three-dimensional structure of human hepcidin as a target protein and Anticalinas a standar therapy were downloaded from the website of the Protein Data Bank (PDB). The active compounds were obtained from HerbalDB and the three-dimensional structure was from PubChem National Center for Biotechnology Information (NCBI). This study was performing using AutoDock Vina 1.1.2 to analyze the binding affinity. Molecular modification was performed with Autodock Tools 1.5.6. Visualization was done with Chimera 1.10 and PyMol 1.3. Results: The docking scores between hepcidin and Anticalin was -4.6 kcal/mol at Cys13,Cys14, Arg16, and Ser17. The compound Roxburghine B and Oxoxylopine could interact with the ligand binding domain and had the docking scores lower than Anticalin. Conclusions: Roxburghine B and Oxoxylopine are potential to become hepcidin antagonists insilico for inflammatory anemia. Keywords: anemia inflamasi, phytochemical, molecular docking, hepcidin, Anticalin

The Difference of Forced Vital Capacity Ratio (%FVC) between Junior High School Students Living in High Altitude and Low Altitude Fery Ardi Kurniawan; Yuliana Heri Suselo; Amandha Boy Timor Randita
Nexus Biomedika Vol 4, No 3 (2015): Nexus Biomedika
Publisher : Nexus Biomedika

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Background: Environment will affect the condition and bodys ability to adapt. The difference of characteristics and environmental conditions between high altitude and low altitude causes the adaptation of body, in order to work normally. This adaptation causes change in many organ systems including the respiratory system. Forced Vital Capacity Ratio (%FVC) is the ratio between Forced Vital Capacity (FVC) and predicted value of vital capacity. FVC is influenced by lungs ability to compliance and recoil. The limitations on these ability will reduce the ability to inspire the air so it will be difficult to get oxygen. This research aimed to analyze the difference of %FVC between junior high school students living in high altitude and low altitude. Methods:This research was a cross-sectional observational analytic. The subjects were 30 male students of SMP Amal Mulya Tawangmangu Karanganyar (altitude 966 meters) and 30 male students of SMP Negeri 2 Kretek Bantul (altitude 15 meters). The subjects were selected by using non random purposive sampling and met the inclusion and exclusion criteria. Data of %FVC were measured by Minato AutoSpiro AS.300 Spirometry. The data were analyzed using Independent t-test with significance level ? = 95%. Results: Mean of %FVC of junior high school students in high altitude was 77.67 8.806 whereas mean of that in low altitude was 76.38 8.493 with p = 0.564. Conclusions: There is no significant difference of %FVC between junior high school students living in high altitude and low altitude. Keywords: Forced Vital Capacity Ratio (%FVC), high altitude, low altitude, spirometry

Oxonantenine Derives from Annona reticulata is a Potential Candidate of DPP-4 Inhibitor for Diabetes Therapy PRATHITA NITYASEWAKA; DONO INDARTO; YULIANA HERI SUSELO
Nexus Biomedika Vol 5, No 2 (2016): Nexus Biomedika
Publisher : Nexus Biomedika

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Introduction: DPP-4 inhibitor is a new diabetic drug for patients with type 2 diabetes who do not achieve normal blood glucose levels using standard drugs such as metformin, sulfonylurea, meglitinide, thiazolidinedione, and ?-glucosidase inhibitor. Pharmacologically, DPP-4 inhibitor increases GLP-1 and GIP blood levels, leading to increase of insulin secretion. So far, Indonesian herbal plants have been used as an alternative therapy for diabetes but their active compounds have been unknown. The aim of this study was to identify phytochemicals derived from Indonesian herbal plants with DPP-4 inhibitor activity. Methods: This study was a bioinformatic study with a molecular docking method. Three-dimensional structure of DPP-4 was downloaded from Protein Data Bank with access code PDB 3F8S. Sitagliptin, a DPP-4 inhibitor, was used as a standard ligand and was obtained from ZINC database with access code ZINC22007143. HerbalDB and Pubchem databases were used to search three-dimensional structures of Indonesian phytochemicals. Before running molecular docking, all phytochemicals were selected using Lipinskis rule of five criteria. Molecular docking of these phytochemicals with DPP-4 was performed three times using Autodock Vina 1.1.2. Results of molecular docking were visualized using PyMol 1.7 and Chimera 1.9. Result: 422 Indonesian phytochemicals were docked with DPP-4. A lower binding affinity was observed in oxonantenine, compared with sitagliptin (-8.3 vs -8.5 kcal/mol respectively). In addition, oxonantenine has as same as binding sites with sitagliptin (Glu 205 and Glu 206). Oxonantenine interacts with DPP-4 at Tyr 547 as third residue, while third residue interaction of sitagliptin and DPP-4 was at Tyr 662. Oxonantenine was found in Annona reticulata. Conclusions: Oxonantenine which is an Indonesian phytochemicals may computationally become a candidate of DPP-4 inhibitor. In vitro study is needed to verify whether or not oxonantenine can inhibit DPP-4. Keywords: DPP-4, type 2 diabetes, molecular docking, oxonantenine.

Pomegranate Extract Does Not Inhibit Sodium Glucose co-Transporter 2 Protein in Vero Cells Mila Ulfia; Dono Indarto; Amelya Augusthina Ayu Sari; Yuliana Heri Suselo
Nexus Kedokteran Translasional Vol 6, No 1 (2017): Nexus Kedokteran Translasional
Publisher : Fakultas Kedokteran Universitas Sebelas Maret Surakarta

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Backgrounds: Mutation of SLC5A2 gene which encodes sodium glucose co-transporter2 (SGLT2) protein enhances glucose reabsorption on the kidney tubule in some patients with type 2 diabetes (DMT2). Dapagliflozine an oral antidiabetic drug, inhibits SGLT2 activity. Ellagic acid is able to inhibit SGLT2 protein in silico and highly found in pomegranate fruits. The aim of this study was to investigate the effect of pomegranate extracts on glucose levels in a model cell of African green monkey (Vero cell line). Methods: This study was an experimental laboratory with posttest only control group design. 1 x 106 Vero cells perwell were used in five experimental groups: negative control 1 (KKn1), KKn with 20% glucose (KKn2), positive control with dapagliflozine (KKp), ethanol and diethyl ether extract of pomegranate peel (KEDA), methanol extract of pomegranate seeds (BMA). Vero cells were then treated with 125 ppm pomegranate extracts (KEDA and BMA) and incubated for 24 hours. Cell morphology was observed under an inverted microscope with 100 x magnification. Glucose levels in Vero cells were measured using spectrophotometer. Collected data was analyzed descriptively. Result: Morphology of Vero cells was oval, soliter and centered nucleus and did not change during incubation with pomegranate extracts. Glucose levels in Vero cells treated with BMA (28.5 mg/dL) and KEDA (29 mg/dL) were higher than glucose levels in control groups KKp, KKn1, and KKn2 (2.5, 6.5 and 8 mg/dL respectively). Conclusion; Pomegranate extracts do not inhibit SGLT2 protein and increase glucose levels in Vero cells. Purification of pomegranate extracts is required for further investigation of the capability of ellagic acid inhibiting SGLT2 protein. Keywords: Ellagic acid, glucose level, pomegranate, SGLT2, type 2 diabetes.

Screening Indonesian Medical Plants Phytochemistry Using Molecular Docking as Hepcidin Antagonis in Iron Deficiency Anemia Dien Adiparadana; Yuliana Heri Suselo; Balgis .
Nexus Kedokteran Translasional Vol 4, No 2 (2015): Nexus Kedokteran Translasional
Publisher : Fakultas Kedokteran Universitas Sebelas Maret Surakarta

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Background: Iron deficiency anemia is found in clinical practice and community. There is mutasion in a genetic within iron deficency anemia which regulate iron homeostatis.Mutation in the TMPRSS6 resulting in iron refractory iron deficiency anemia The TMPRSS6 genetic encoding matriptase-2 enzymes which regulate hepcidin. The hepcidin is a principal regulator of iron homeostatis. Indonesia have more than 2.000 medical plants which have many roles and function. Some plants have phytochemisty that potentially in hepcidin antagonis. The phytochemistry is screen using molecular docking method Methods: The research design was a biocomputasion. It had been done at Medical Faculty of Sebelas Maret University on August-Oktober, 2014. The data was collected by using purposive sampling method. All data is docked using Autodock Vina in PyRx software. Docked sample is compared with binding energy of furstulhiamine drug. The data was compared its binding energy and their zone interaction with fursulthamine Results: The result were 10 samples has higher its binding energy than fursulthiamine. The binding energy of fursulthiamine was -6,7 kcal/mol. The highest binding energy was -8,5 kcal/mol and the lowest was -8 kcal/mol. All 10 sample interacted with cys 326. The cys 326 was the residue which can inhibit hepcidin interaction with ferroportin Conclusions: The Molecular Docking can be used to intial screening many phytochemisty. The result was 10 phytochemistry Indonesian medical plants which may inhibit hepcidin interaction. Further research is needed to prove the effect of phytochemistry. Keywords: Hepcidin, molecular docking, phytochemistry

Indonesian Pythochemical as Erythropoietin Agonist In Sillico to Treatment Anemia in Chronic Kidney Disease Muhammad Rizki Kamil; Yuliana Heri Suselo; R. Aj Sri Wulandari
Nexus Kedokteran Translasional Vol 6, No 1 (2017): Nexus Kedokteran Translasional
Publisher : Fakultas Kedokteran Universitas Sebelas Maret Surakarta

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Background: Anemia is the most frequent complication in CKD and until now the its treatment still hampered effectiveness and efficiency. Indonesia is known to have 9,600 species of plants that have a pharmacological effect and some compounds have been created for 3D structures and databases. Molecular docking is beginning of the process of the invention the drug most widely used. This study aims to screen Indonesian herbal plant that has activity as an agonist of erythropoietin receptor for treatment of anemia in CKD development with molecular docking method. Methods: The research was a bioinformatics study which utilized all phytochemicals in HerbalDB that had PubChem access code and met the criteria for Lipinski's rule of five as sample. The complex of Epo-EpoR was obtained from the Protein Data Bank, code: 1CN4. Validation of truncated Epo with EpoR needed to get docking scores and binding site at EpoR. Molecular docking between phytochemical compounds with EpoR models was done using AutodockVina 1.1.2. Visualization of docking results was done using PyMOL 1.7.4. Results: There are 12 phytochemicals that have 10 of 17 in common EpoR binding site. There are seven of them met the criteria phytochemical Lipniski's rule of five and then two phytochemicals are selected which has the most variation binding site to EpoR, 18 sites. GibberellinA51 and Miraxanthin-III were two selected phytochemicals of the most potentially as EpoR agonist based on analysis of docking scores, binding site similarity with truncated Epo, and Lipinski's rule of five criterias. Conclussion: GibberellinA51 and Miraxanthin-III were the most potent Indonesian phytochemicals that could be a EpoR agonist to development of treatment anemia in CKD. Keywords: Anemia, CKD, EpoR agonists, Indonesian phytochemicals, molecular docking

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