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Studi Aktivitas Antioksidan Senyawa 1-(p-klorobenzoiloksimetil)-5-fluorourasil dengan Metode Molecular Docking dan Metode DPPH (Antioxidant Activity of 1-(p-chlorobenzoyloxymethyl)-5-Fluorouracyl Using Molecular Docking and DPPH Method) Brahmansyah Diar Rosiarto; Ayik Rosita Puspaningtyas; Diana Holidah
Pustaka Kesehatan Vol 2 No 1 (2014)
Publisher : UPT Percetakan dan Penerbitan Universitas Jember

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Abstract

Cellular damage caused by reactive oxygen species (ROS) free radical and antioxidant activity has an important role as free radical scavenging in body. This study was carried out to evaluate in vitro antioxidant and ligand afinity toward human ROS receptor (PDB code: 3ZBF). In DPPH method, 1-(p-chlorobenzoyloxymethyl)-5-fluorouracil dissolved in etil acetat, while 5-fluorouracil and ascorbic acid as standard dissolved in methanol. The free radical scavenging activity was measured spectrometrically with maximum wavelength at 512 nm. DPPH method show that ascorbic acid have strong antioxidant activity (IC50 = 19.092 ppm), while 1-(p-chlorobenzoyloxymethyl)-5-fluorouracil (IC50 = -2,500,245 ppm) and 5-fluorouracil (IC50 = -4,998 ppm) have not antioxidant activity. Molecular docking (in silico) toward human ROS receptor was indicate 1-(p-chlorobenzoyloxymethyl)-5-fluorouracil (Ki = -6.2 ± 0.04 kkal/mol) has best activity than ascorbic acid (Ki = -4.8 ± 0.19 kkal/mol) and 5-fluorouracil (Ki = -4.6 ± kkal/mol).   Keywords: 1-(p-chlorobenzoyloksimethyl)-5-fluorouracil, 5-Fluorouracyl, antioxidants, DPPH, molecular docking
Analisis HKSA dan Docking Aktivitas Inhibisi Turunan HEPT terhadap Enzim Reverse Transcriptase HIV (QSAR and Docking of Inhibition Activity of HEPT Derivatives Against Enzym Reverse Transcriptase HIV) Ani Riani Hasana; Ayik Rosita; Fifteen Aprila Fajrin
Pustaka Kesehatan Vol 1 No 1 (2013)
Publisher : UPT Percetakan dan Penerbitan Universitas Jember

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This study describes the analysis of QSAR and Docking based on the inhibition activity of the enzyme Reverse Transcriptase HIV by 1-[(2-hydroxyethoxy) metil]-6-(phenylthio) timin (HEPT) derivatives. QSAR modeling using 85 compounds HEPT derivatives have calculated the value of biological activity in vitro inhibition of the value of log1/C, then made a linear regression equation against QSAR parameters like as lipophilic, electronic and steric to obtained maximum results correlation r2 by method Multiple Linear Regression (MLR). Docking used to determine the predictive ability of the inhibitor affinity value when HEPT derivatives interacting with the enzyme Reverse Transcriptase HIV. QSAR study results that play a role in the activity is the refractive index parameter (η), molar volume (MV), Parachor (Pc), I2 (parameter which indicates the presence of Sulphur in position R2) and ISP (parameter which indicates the presence of Sulphur in position X). Best equation obtained with compound 75 has a value of R=0.9135, R2adj=0.8064, RMSE=0.5104, and F=69.4881. Docking study results indicate derivatives with the number 80 has the smallest affinity by -11.3 kcal / mol. Keywords: docking, reverse transcriptase enzyme , HEPT, MLR, QSAR.
Uji Sitotoksisitas dan Proliferasi Senyawa 1-(4- Trifluorometilbenzoiloksimetil)-5-Fluorourasil terhadap Sel Kanker Payudara MCF-7 (Cytotoxicity and Proliferation Assay of 1-(4- Trifluoromethylbenzoyloxymethyl)-5-Fluorouracil) On MCF-7 Breast Cancer Cell Puspita Arum Wijayanti; Ayik Rosita Puspaningtyas; Dian Agung Pangaribowo
Pustaka Kesehatan Vol 3 No 3 (2015)
Publisher : UPT Percetakan dan Penerbitan Universitas Jember

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Abstract

1-(4-trifluoromethylbenzoyloxymethyl)-5-fluorouracil (TFU) is a derivative compound of anticancer agent, 5-fluorouracil (5-FU). TFU has been synthesized by Ernawati to increase the anticancer activity of 5-FU. However, the cytotoxic and antiproliferative effect of TFU had not been carried out. This study aimed to evaluate the cytotoxic and antiproliferative activity of TFU compared to 5-FU on MCF-7 breast cancer cell line using MTT method. The citotoxicity study was done for 24 hours. The antiproliferative study was done for 24, 48, and 72 hours. The cytotoxic effect was determined based on IC50 value while the antiproliferative effect was determine based on the doubling time value. The results showed that TFU had better cytotoxicity on MCF-7 with IC50 value 401.03 ± 0.370 µM compared to 5-FU with IC50 value 4216.32 ± 800.28 µM. The doubling time value of TFU at concentration of ½ IC50, IC50, and 1½ IC50 were 359.66; 364.39; and 448.40 hours respectively, while 5-FU were 184.45; 214.00; and 220.63 hours. The doubling time value indicated that TFU compound was able to prolong the doubling time of MCF-7 cell line compared to 5-FU. Keywords: cancer, cytotoxicity, proliferation,1-(4-trifluoromethylbenzoyloxymethyl)-5-fluorouracil, MCF-7
Sintesis Asam 2-(2-(n-(2,6-diklorofenil)-4 fluorobenzamida)fenil)asetat sebagai Kandidat Obat Penghambat COX (siklooksigenase) Triodora Hutahuruk; Ayik Rosita; Ika Oktavianawati
Pustaka Kesehatan Vol 2 No 2 (2014)
Publisher : UPT Percetakan dan Penerbitan Universitas Jember

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Sodium diclofenac is a non selectif NSAID that used as an inflammatory, analgesic, and antipyretic. Several experiment about compound as a derivate sodium diclofenac has been synthesized for reduce side effect. 2-(2-(N-(2,6-dichlorophenyl)-4-fluorobenzamido)phenil)acetat acid (N4FND) is derivate of sodium diclofenac that synthesized for development of drugs. The target compound has been synthesized by benzoylation reaction between sodium diclofenac with 4-fluorobenzoylchloride. And then, the target compound has been purified using Coloumn Chromatography. The isolate was identified using 1HNMR 400 MHz and KBr FTIR. Spectra of of 1HNM 00 MHz and KBr FTIR showed that 2-(2-(N-(2,6-dichlorophenyl)-4-fluorobenzamido)phenil)acetat acid was successfully synthesized. Pure product compound form yellowish white crystals with melting point 165-1670C.
Uji Sitotoksisitas dan Proliferasi Senyawa 1-(4-nitrobenzoiloksi- metil)-5-fluorourasil terhadap Sel Kanker Payudara MCF-7 (Cytotoxicity and Proliferation Studies of 1-(4-nitrobenzoyloxy- methyl)-5-fluorouracil) on Breast Cancer Cells MCF-7) Eka Mustika Wati; Ayik Rosita Puspaningtyas; Dian Agung Pangaribowo
Pustaka Kesehatan Vol 4 No 3 (2016)
Publisher : UPT Percetakan dan Penerbitan Universitas Jember

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1-(4-nitrobenzoyloxymethyl)-5-fluorouracil (4-NFU) is a derivative of anticancer drug 5-fluorouracil (5-FU) which has been substituted by alkyl, ester, benzene, and nitro groups at N1 position. 4-NFU has been synthesized by Kurnia but anticancer study has not been reported. This research aims to compare the cytotoxicity and antiproliferative activity between 4-NFU and 5-FU on MCF-7 cells. The cytotoxicity and antiproliferative activity were studied by MTT method. The cytotoxicity study was done for 24 hours. The antiproliferative study was done for 24, 48, and 72 hours. The result showed that cytotoxicity activity of 4-NFU (IC50 = 134.039 μM) was higher than 5-FU (IC50 = 4211.508 μM) on MCF-7 cells. Based on the unpaired t test, there was a significant difference between IC50 of 4-NFU and 5-FU (α<0.05). The antiproliferative study showed that there was a growth inhibition on MCF-7 cells. The doubling time value of 4-NFU was 290.51 hours at ½ IC50; 350.97 hours at IC50; and 418.2 hours at 1½ IC50. The doubling time value of 5-FU was 185.99 hours at ½ IC50; 214 hours at IC50; and 220.63 hours at 1½ IC50. The doubling time value of 4-NFU was higher than 5-FU so that antiproliferative activity of 4-NFU was higher than 5-FU on MCF-7 cells. Keywords: 1-(4-nitrobenzoyloxymethyl)-5-fluorouracil, cytotoxicity, proliferation, MCF-7
Sintesis 1-(4-metoksibenzoiloksimetil)-5-fluorourasil sebagai Agen Antikanker . Ifada; Ayik Rosita Puspaningtyas1; Ika Oktavianawati; Yuni Retnaningtyas; Nia Kristiningrum
Pustaka Kesehatan Vol 1 No 1 (2013)
Publisher : UPT Percetakan dan Penerbitan Universitas Jember

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Abstract

A new compound from 5-fluorouracil (5-FU) derivatives, 1-(4-methoxybenzoyloxymethyl)-5-fluorouracil has been synthesized in a two steps reaction, alkylation (5-FU and formaldehyde to form 1-hydroxymethyl-5-fluorouracil) and esterification (1-hydroxymethyl-5-fluorouracil and 4-methoxybenzoylchloride to form 1-(4-methoxybenzoyloxymethyl)-5-fluorouracil). Reaction product purified by chromatography column, the product has been characteryzed for physical apperance is a yellowish white, crystal and melting range 168-169OC. Based on the FTIR and 1H-NMR spectra, it showed that the purified product does not contain a single compound. This fact is supported by Thin Layer Chromatography (TLC) result showing two spots for the pressure of 1-(4-methoxybenzoyloxymethyl)-5-fluorouracil and 4-methoxybenzoate acid. Keywords: 5-fluorouracil derivates, anticancer, 1-(4-methoxybenzoyloxymethyl)-5-fluorouracil, benzoylation.
MOLEKULAR DOCKING DENGAN METODE MOLEGRO VIRTUAL DOCKER TURUNAN KALKON SEBAGAI ANTIMIKROBA Ayik Rosita Puspaningtyas
STOMATOGNATIC - Jurnal Kedokteran Gigi Vol 9 No 1 (2012)
Publisher : Fakultas Kedokteran Gigi Universitas Jember

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Abstract

We have done docking molecule on chalcones derivatives that bind to antibacterial gram-positive (Bacillus subtilis ) and negative (Escherichia coli) compared with chalcones derivatives and chloramphenicol antibiotic. Chalcone derivatives compounds have been synthesized by varying the methoxy groups in chalcone structure. The results showed that chalcone derivatives have antibacterial activity in inhibition of Bacillus subtilis and Escherichia coli that were better than lead compound (chalcone) and chloramphenicol. The results can be viewed from Moldock and Rerank score that has lower energy. The results differ from in vitro study in 1 - (4-Bromo-phenyl) -3 - (4-phenyl-methoxy)-2-propen-1-on and 1-(4-Bromo-phenyl)-3-(3.4-dimethoxy-phenyl)-2-propen-1-on compounds as antibacterial activity in gram-negative bacteria (E. coli) and gram-positive bacteria (Bacillus subtilis) were smaller activity than chloramphenicol. Because of derivatives chalcones was very large lipophylic value (log P>2), these will decrease the activity. In addition, if these were viewed hydrogen bonds on Molegro Virtual Docker between chalcone derivatives and binding of bacterial amino acids, ie Lys 411, Ser 299, Ser 52, and Thr 412 in Bacillus subtilis and Tyr 136 and Tyr 52 in Escherichia coli provide less harmonious interaction within complex binding than that of chloramphenicol.
STUDI FITOKIMIA IRVINGIA MALAYANA SEBAGAI ANTIMALARIA DARI HUTAN MERU BETIRI DALAM RANGKA DRUG DISCOVERY Ayik Rosita Puspaningtyas
Jurnal Ilmiah Farmasi Farmasyifa Vol 1, No 2 (2018)
Publisher : Universitas Islam Bandung

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.29313/jiff.v1i2.3340

Abstract

Meru Betiri forest in Jember contains a lot of medicinal plants. Irvingia malayana (Pauh Kijang), which is one of the medicinal plants found, has been proven as an antimalarial. However, phytochemical and antimalarial studies of Irvingia malayana have never been carried out. This study was conducted for an antimalarial Drug Discovery through phytochemical study by isolating the roots, stems, and leaves of Irvingia malayana. From the analysis using FTIR, H-NMR, and GC-MS, it was concluded that the compound in the ethyl acetate extract of Irvingia malayana stem was terpenoids that was included in silymarin group as well as other plants in the genus Irvingia. The melting point of Irvingia malayana isolate was 120-121oC with white crystals. Statistical result of in vivo study showed that each group was significantly different. On day 4 after administration, IC50 showed was 11,827 mg/kgBW and day 3 was 6,927 mg/kgBW. Therefore, 3 days is the maximum duration of administration in reducing plasmodium and shows the most excellent activity as antimalarial. In in vitro study, IC50 of Irvingia malayana (62.855 ug/ml) has weak activity of antiplasmodium compared to chloroquine positive controls containing IC50 (1,114x10-3 ug/ml). Based on the data of in vivo and in vitro antimalarial activities, the compound had no antimalarial activity because the extract consisted of many components that possessed many possible synergetic mechanisms of antimalarial if compared to single compound.Keywords: 
DOCKING MOLEKUL DENGAN METODA MOLEGRO VIRTUAL DOCKER DARI EKSTRAK AIR Psidium guajava, Linn DAN Citrus sinensis, Peels SEBAGAI INHIBITOR PADA TIROSINASE UNTUK PEMUTIH KULIT Ayik Rosita Puspaningtyas
Jurnal Kimia Terapan Indonesia Vol 15, No 1 (2013)
Publisher : Research Center for Chemistry - LIPI

Show Abstract | Download Original | Original Source | Check in Google Scholar | Full PDF (6980.057 KB) | DOI: 10.14203/jkti.v15i1.102

Abstract

We have been molecular docking using MolegroVirtual Docker (MVD) on water extract of guava fruit(Psidiumguajava, Linn) and sweet orange (Citrussinensis,Peels) as inhibitor on enzyme tyrosinase withascorbic acid (vitamin C) as positive control to studywhitening agent. Based on the previous studies, the maincontent of the water extract of guava fruit (Psidiumguajava)are 2,6-dihydroxy-3,5-dimethyl-4-0--D-glucopyranosilbenzophenone, 3-hydroxy-2-butanone, and vitamin C, whilethe extract juice of sweet oranges (Citrus sinensis) arelimonene, linalol, and vitamin C. In this study the resultsshowed that the main content of the water extract of Psidiumguajava fruit have better bond as inhibitor on tyrosinase thanCitrus sinensis and vitamin C which can be seen fromMoldock score of Psidiumguajava (-107.806) and Citrussinensis (-76,9593); it meanslower the energyand morestable binding. The IC50 on water extract of guava fruit(psidiumguajava) and sweet orange (Citrus sinensis) were0.26 mM and 31.07 mM, respectively. The hydrogen bonds of2, 6-dihydroxy-3, 5-dimethyl-4-0--D- glucopyranosilbenzophenone with 5amino acid of tyrosinase were Gly 200,Pro 201 , Gly 196, Phe 197, and Asn 205, while limonen,linalool binding 3 amino acids were Gly 200, Phe 197, andAsn 205. Finally, 3D MVD visualization between maincontent of guava and sweet orange water extract can beconcluded that interaction of guava fruit (psidiumguajava)water extract against tyrosinase was more harmonious andstabil than vitamin C and main content of sweet orange(Citrus sinensis) water extract.Keywords: Psidium guajava, Citrus sinensis, tyrosinase, vitamin Cand docking molecule
Pengembangan Edible Sensor Berbasis Antosianin Kubis Merah (Brassica oleracea var capitata L.) untuk Monitoring Kesegaran Fillet Ikan Nila (Oreochromis niloticus) Hadiyatun Nuroniyah; Bambang Kuswandi; Ayik Rosita Puspaningtyas
Pustaka Kesehatan Vol 10 No 2 (2022): Volume 10 No.2, 2022
Publisher : UPT Percetakan dan Penerbitan Universitas Jember

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.19184/pk.v10i2.28183

Abstract

Tilapia is actually the most popular source of protein in the world market in the form of fillets, because it has several advantages, such as being able to be processed into various new processed products, easy to distribute and marketable in attractive forms. It is necessary to monitor the freshness quality of tilapia fish fillets. This study aims to develop an edible sensor for monitoring the freshness of tilapia (Oreochromis niloticus) fillets that are safe for consumption and also environmentally friendly with a pH indicator of the anthocyanin of red cabbage (Brassica Oleracea Var. Capitata L.). The edible sensor was applied to the tilapia fillet package. The characterization of edible sensors includes observation of surface morphology with SEM and functional group analysis with FTIR. Tests for freshness parameters of tilapia fish fillets included pH value test, total microbial count test, TVBN level test, and organoleptic test. The color change of the edible sensor was observed visually and using ImageJ software to determine the mean red value. The results show that the color of the edible sensor is dark purple when it indicates fresh tilapia fillet, the light purple color is still fresh, and the grayish-purple color of rotten tilapia fillet is not safe for consumption. Red cabbage anthocyanin-based edible sensors can be applied as smart labels for monitoring the freshness of tilapia fillets.