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Syahri J.,Muhammadiyah University of Riau | Syahri J.,Gadjah Mada University | Yuanita E.,Gadjah Mada University | Yuanita E.,University of Mataram | And 5 more authors.
Oriental Journal of Chemistry | Year: 2017

The rational design of eighteen new antimalarial compounds from xanthone derivatives has been conducted based on Quantitative Structure-Activity Relationship (QSAR) calculation using semiempirical AM1 methods. The best equation model obtained from QSAR calculation was Log pIC50 = 2.997 - 29.256 (qO8) - 138.234 (qC9) - 6.882 (qC12) - 107.836 (qC14) + 48.764 (qO15). Among the designed compounds, 3,6-dihydroxy-9H-xanthen-9-one (26) and 3,4,6-trihydroxy-9H-xanthen-9-one (27) have been synthesized and investigated their in-vitro antimalarial activities against the chloroquine-sensitive 3D7 strain. An in-vitro antimalarial activity of compound 26 and 27 showed to be highly potential as antimalarial compounds with IC50 of 0.71 and 0.11 μM respectively. Molecular docking studies of compound 26 and 27 showed the formation of a binding interaction between the compounds with the amino acids Ala16, Ser108, Phe58, Asp54 and Leu46, which is the crucial amino acids for antimalarial activity based on the protein-ligand co-crystal structure of WR99210 (1,3,5-triazine, a pre-clinical molecule as P. falciparum DHFR-TS inhibitor). © Oriental Scientific Publishing Company. All rights reserved.


Paramitha D.,Bogor Agricultural University | Noviana D.,Bogor Agricultural University | Estuningsih S.,Bogor Agricultural University | Ulum M.F.,Bogor Agricultural University | And 4 more authors.
AIP Conference Proceedings | Year: 2015

Biocompatibility or safety of the medical device is considered important. It can be determined by blood profile examination. The aim of this study was to assess the biocompatibility of biodegradable metal implant through peripheral white blood cells (WBCs) profile approach. Forty eight male ddy mice were divided into four groups according to the materials implanted: iron wire (Fe), magnesium rod (Mg), stainless steel surgical wire (SS316L) and control with sham (K). Implants were inserted and attached onto the right femoral bone on latero-medial region. In this study, peripheral white blood cells and leukocyte differentiation were the parameters examined. The result showed that the WBCs value of all groups were decreased at the first day after implantation, increased at the 10th day and continued increasing at the 30th day of observation, except Mg group which has decreased. Neutrophil, as an inflammatory cells, was increased at the early weeks and decreased at the day-30 after surgery in all groups. Despite, these values during the observation were still within the normal range. As a conclus ion, biodegradable metal implants lead to an inflammatory reaction, with no adverse effect on WBC value found. © 2015 AIP Publishing LLC.


Syahri J.,Muhammadiyah University of Riau | Syahri J.,Gadjah Mada University | Yuanita E.,Gadjah Mada University | Yuanita E.,University of Mataram | And 3 more authors.
Asian Pacific Journal of Tropical Biomedicine | Year: 2017

Objective To investigate in vitro antimalarial activity of chalcone derivative compounds against Plasmodium falciparum 3D7 (Pf3D7) strain and in silico antimalarial activity. Methods Synthesis of the chalcone derivatives was conducted via Claisen-Schmidt method using NaOH 60% base as catalyst. An in vitro antimalarial activity assay was carried out according to the Rieckmann method against the chloroquine-sensitive Pf3D7 strain. Molecular docking studies of the prepared compounds were performed using Discovery Studio 3.1 (Accelrys, Inc., San Diego, USA) software to dihydrofolate reductases–thymidylate synthase (PfDHFR-TS) protein with Protein Data Bank ID of 1J3I.pdb (sensitive-protein) and ID: 4DP3.pdb (resistance-protein). Results This work has successfully synthesized seven chalcone derivatives with a great antimalarial activity. It has been revealed that allyloxy, hydroxy and alkoxy functional groups could increase the antimalarial activity of the chalcone derivatives. The best antimalarial activity of the prepared compounds was possessed by 3b with an IC50 value of 0.59 μM and categorized as an excellent antiplasmodial. Molecular docking studies of 3b showed binding interaction with the amino acid residues such as Ala16, Ile164, Phe58, Tyr170 of the 1J3I.pdb protein and also Ala16, Phe58, Ile112, Met55 of the 4DP3.pdb protein. Conclusions An in vitro antimalarial assay of the prepared chalcone derivative (3a–g) showed an excellent and good antiplasmodial activity against the chloroquine-sensitive Pf3D7 strain. In silico antimalarial studies revealed that 3a–g made binding interaction with both sensitive-protein (1J3I.pdb) and resistance-protein (4DP3.pdb), which means that they were both active against chloroquine-sensitive and resistant plasmodium strain. © 2017 Hainan Medical University


Syahri J.,Gadjah Mada University | Syahri J.,Muhammadiyah University of Riau | Rullah K.,National University of Malaysia | Armunanto R.,Gadjah Mada University | And 5 more authors.
Asian Pacific Journal of Tropical Disease | Year: 2017

Objective: To synthesize chalcone derivatives and investigate their antimalarial activity toward chloroquine-sensitive Plasmodium falciparum 3D7 (Pf3D7) strain; to develop quantitative structureactivity relationships (QSAR) model to estimate IC50 values for biological activity of antimalarial and compared to experimental measurement; and to determine the binding interactions of the most active compounds with targeting P. falciparum dihydrofolate reductase-thymidylate synthase using molecular docking simulation. Methods: Seven chalcone derivatives have been synthesized from substituted acetophenone and substituted benzaldehyde in ethanol with the presence of bases catalysis at reflux condition. The QSAR analysis was conducted by using Gaussian 09 software to predict IC50 value for antimalarial activity. The in vitro test was evaluated against the chloroquine-sensitive Pf3D7 strain. Finally, the docking studies were performed with the CDOCKER protocol under the receptor-ligand interaction section in Discovery Studio 3.1 (Accelrys, Inc., San Diego, USA). Results: Among the synthesized chalcone, a prenylated chalcone 5c and an allylated chalcones 10a showed the best IC50 values of 1.08 and 1.73 μg/mL respectively against Pf3D7 strain (1.37 and 2.33 μg/mL based on QSAR analysis). Comparison between the prediction of IC50 value generated from the QSAR and the outcome from an in vitro assay showed a similar result as seen from the r2 value (r2 = 0.99). The most active compound 5c was employed in the docking simulation to determine the potential binding interactions with active sites of P. falciparum dihydrofolate reductase-thymidylate synthase (protein data bank ID: 1J3I). The docking simulation study showed 5c bind well with Ala16, Ser108, Ile164, Trp48, and Phe58 which are the crucial interactions that could possibly interrupt the sequential catalysis reactions in the thymidylate cycle and subsequently prevent deoxythymidine monophosphate production and DNA synthesis. The formed binding interaction (H-bond) toward residues of Ala16, Ser108, and Ile164 also indicate the activity of 5c against chloroquine-resistance P. falciparum strain. Conclusions: We have successfully determined the effects of some chalcone derivatives on antimalarial activity against the chloroquine-sensitive Pf3D7 strain. Compound 5c and 10a were described a good antiplasmodial compounds. Interestingly, these in vitro results relevance with IC50 predicted QSAR studies. Moreover, molecular docking simulation provided insight into the binding modes of 5c into the anti-folate resistance from malarial P. falciparum.


Ulum M.F.,University of Technology Malaysia | Ulum M.F.,Bogor Agricultural University | Arafat A.,University of Technology Malaysia | Noviana D.,Bogor Agricultural University | And 5 more authors.
Materials Science and Engineering C | Year: 2014

Biodegradable metals such as magnesium, iron and their alloys have been known as potential materials for temporary medical implants. However, most of the studies on biodegradable metals have been focusing on optimizing their mechanical properties and degradation behavior with no emphasis on improving their bioactivity behavior. We therefore investigated the possibility of improving iron biodegradation rate and bioactivity by incorporating various bioactive bioceramics. The iron-based bioceramic (hydroxyapatite, tricalcium phosphate and biphasic calcium phosphate) composites were prepared by mechanical mixing and sintering process. Degradation studies indicated that the addition of bioceramics lowered the corrosion potential of the composites and slightly increased their corrosion rate compared to that of pure iron. In vitro cytotoxicity results showed an increase of cellular activity when rat smooth muscle cells interacted with the degrading composites compared to pure iron. X-ray radiogram analysis showed a consistent degradation progress with that found in vivo and positive tissue response up to 70 days implantation in sheep animal model. Therefore, the iron-based bioceramic composites have the potential to be used for biodegradable bone implant applications. © 2013 Elsevier B.V.


Nasution A.K.,University of Technology Malaysia | Nasution A.K.,Muhammadiyah University of Riau | Murni N.S.,University of Technology Malaysia | Sing N.B.,University of Technology Malaysia | And 2 more authors.
Journal of Biomedical Materials Research - Part B Applied Biomaterials | Year: 2015

This article describes the development of a partially degradable metal bone pin, proposed to minimize the occurrence of bone refracture by avoiding the creation of holes in the bone after pin removal procedure. The pin was made by friction welding and composed of two parts: the degradable part that remains in the bone and the nondegradable part that will be removed as usual. Rods of stainless steel 316L (nondegradable) and pure iron (degradable) were friction welded at the optimum parameters: forging pressure 533.2 kPa, friction time525 s, burn-off length515 mm, and heat input54.58 J/s. The optimum tensile strength and elongation was registered at 666 MPa and 13%, respectively. A spiral defect formation was identified as the cause for the ductile fracture of the weld joint. A 40-μm wide intermetallic zone was identified along the fusion line having a distinct composition of Cr, Ni, and Mo. The corrosion rate of the pin gradually decreased from the undeformed zone of pure iron to the undeformed zone of stainless steel 316L. All metallurgical zones of the pin showed no toxic effect toward normal human osteoblast cells, confirming the ppb level of released Cr and Ni detected in the cell media were tolerable. © 2014 WILEY PERIODICALS, INC.


Sarwinda D.,Muhammadiyah University of Riau | Daqiqil Id I.,University of Riau
Proceedings of 2015 International Conference on Information and Communication Technology and Systems, ICTS 2015 | Year: 2015

This paper applied volumetric analysis and voxel based morphometry (VBM) from 3D magnetic resonance images of brain to detect Alzheimer's disease. Image preprocessing is selected as a method to identify changes in brain volume between Alzheimer and normal control with segmentation process for some tissues in brain such as gray matter, white matter and cerebrospinal fluid. Moreover, statistical testing with two-sample t-test has done to see significant difference between the average volume of Alzheimer's and normal brain. The testing results showed a significant difference between the average volume of Alzheimer's and normal brain. Gender difference is one of the causes of changes in brain volume. Women suffered from Alzheimer have a number of less brain volumes than men. © 2015 IEEE.


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PubMed | Muhammadiyah University of Riau
Type: Journal Article | Journal: Journal of biomedical materials research. Part B, Applied biomaterials | Year: 2014

This article describes the development of a partially degradable metal bone pin, proposed to minimize the occurrence of bone refracture by avoiding the creation of holes in the bone after pin removal procedure. The pin was made by friction welding and composed of two parts: the degradable part that remains in the bone and the nondegradable part that will be removed as usual. Rods of stainless steel 316L (nondegradable) and pure iron (degradable) were friction welded at the optimum parameters: forging pressure = 33.2 kPa, friction time=25 s, burn-off length=15 mm, and heat input=4.58 J/s. The optimum tensile strength and elongation was registered at 666 MPa and 13%, respectively. A spiral defect formation was identified as the cause for the ductile fracture of the weld joint. A 40-m wide intermetallic zone was identified along the fusion line having a distinct composition of Cr, Ni, and Mo. The corrosion rate of the pin gradually decreased from the undeformed zone of pure iron to the undeformed zone of stainless steel 316L. All metallurgical zones of the pin showed no toxic effect toward normal human osteoblast cells, confirming the ppb level of released Cr and Ni detected in the cell media were tolerable.

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