Galuh Widiyarti
Research Center for Chemistry (RCC-Chem), Indonesian Institute of Sciences (LIPI), Kawasan PUSPIPTEK Serpong, Tangerang Selatan, Banten 15314

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MOLECULAR DOCKING OF CITRONELLOL, GERANIOL AND ESTER DERIVATIVES AS PIM 1 KINASE INHIBITOR OF LEUKEMIA CANCER Widiyarti, Galuh; Firdayani, Firdayani; Hanafi, Muhammad; Kosela, Soleh; Budianto, Emil
Jurnal Kimia Valensi Jurnal Kimia VALENSI Volume 5, No. 2, November 2019
Publisher : Lembaga Penelitian dan Pengabdian Kepada Masyarakat Syarif Hidayatullah State Islamic Uni

Show Abstract | Download Original | Original Source | Check in Google Scholar | Full PDF (867.495 KB) | DOI: 10.15408/jkv.v5i2.7195

Abstract

The proviral insertion site in Moloney murine leukemia virus-1 (Pim1) kinase is overexpressed in many human cancer diseases. Inhibition of Pim1 kinase has been reported can suppress cell proliferation and induce apoptotic cell death, so that the protein could be chosen as drug target for the treatment of cancer. Citronellol and geraniol mainly contained in citronella oil that?s one of Indonesian natural products have bioactivity as antitumor agents, so that both of the compounds can be used as guiding compound to be developed as chemoprevention and chemotherapeutic agent compounds for cancer especially for leukemia cancer. In this research, sixteen citronellol and geraniol esters as an inhibitor of leukemia cancer designed were docked based on their interaction with leukemia receptor target of Pim1 kinase by using Molegro Virtual Docker (MVD). The result showed that the binding citronellol and geraniol esters to Pim1 kinase are more stable and better affinity  than the binding between citronellol and geraniol, indicated by rerank score were lower than rerank score of citronellol/geraniolPim1 kinase. The docking resulted in the four top-ranked compounds, namely, citronellyl caproate, citronellyl caprylate, geranyl caproate and geranyl caprylate with rerank score value from -182.560 to -189.822 KJ/mol. These compounds have hydrogen bonding with amino acid residues of Lys 67 and Asp 186 of an active site of Pim1 kinase. Based on Lipinski?s rule of five, among of the four top-ranked compounds, citronellyl caproate and geranyl caproate were predicted have potency as new chemopreventive and chemotherapeutic agents for leukemia anticancer candidates.
PENGARUH KONSENTRASI KATALIS DAN PERBANDINGAN MOLARITAS REAKTAN PADA SINTESIS SENYAWA Widiyarti, Galuh; Hanafi, Muhammad
Reaktor Volume 12, Nomor 2, Desember 2008
Publisher : Dept. of Chemical Engineering, Diponegoro University

Show Abstract | Download Original | Original Source | Check in Google Scholar | Full PDF (1051.582 KB) | DOI: 10.14710/reaktor.12.2.90-97

Abstract

In the laboratory scale, the effect of the concentration of H2SO4 catalyst (1.25-6.25) (% w/w) and the equivalent mol ratio between lauric acid and glycerol (1:1; 1:2.5; 2.5:1) on the synthesis of a-monolaurin has been studied. The a-monolaurin compound has been synthesized from lauric acid and glycerol was done by batch esterification on the free solvent system. The esterification by using 5% H2SO4 catalyst and equivalent mol ratio between lauric acid and glycerol 1:2.5 produced most monolaurin, and dilaurin in amount of 31.14 and 4.42%, respectively. The monolaurin and dilaurin are identified by thin layer chromatography (TLC), infrared spectrophotometer (FTIR), liquid chromatography-mass spectrometer (LC-MS), and Nuclear Magnetic Resonance (NMR) spectrometer. The spectral data of monolaurin was compared to spectral data of standard a-monolaurin.Telah dilakukan penelitian sintesis senyawa a-monolaurin dari asam laurat dan gliserol, dengan konsentrasi katalis H2SO4 (1,25 s.d. 6,25) (% berat) dan perbandingan molaritas reaktan asam laurat terhadap gliserol (1:1; 1:2,5; dan 2,5:1) sebagai parameter. Pada reaksi esterifikasi dengan konsentrasi katalis H2SO4 5%  dan perbandingan molaritas asam laurat terhadap gliserol 1:2,5 dihasilkan senyawa a-monolaurin terbanyak 31,14% sebagai hasil utama dan senyawa a,a?-dilaurin 4,42% sebagai hasil samping sintesis. Kedua senyawa hasil sintesis diidentifikasi dengan kromatografi lapis tipis (KLT), spektrofotometer infra merah (FTIR), spektrometer massa liquid chromatography-mass spectrometer (LC-MS), dan spektrometer resonansi magnetik inti (NMR). Karakteristik senyawa a-monolaurin hasil sintesis dibandingkan  dengan karakteristik a-monolaurin standar.   
Biotransformation and Cytotoxic Activity of Guaiacol Dimer Widiyarti, Galuh; Abbas, Jamilah; Anita, Yulia
Indonesian Journal of Chemistry Vol 14, No 2 (2014)
Publisher : Universitas Gadjah Mada

Show Abstract | Download Original | Original Source | Check in Google Scholar | Full PDF (250.382 KB) | DOI: 10.22146/ijc.21256

Abstract

Guaiacol, a phenolic compound is known as an anticancer. Dimerization of guaiacol has been done by biotransformation using peroxidase enzyme as biocatalyst. This enzyme was isolated from Indonesian plant, kailan (Brassica oleraceae var. alboglabra). Analysis of dimerization product was carried out by TLC, IR, LC-MS, and NMR. Whilst analysis of in-vitro cytotoxic activity was carried out by MTT method against breast cancer T47D and MCF7 cells. The result showed that the dimerization reaction gave O-para dehydroguaiacol. The in-vitro cytotoxic activity analysis showed that O-para dehydroguaiacol compound has potency as anti-breast cancer.
EFFECT OF PREPARATION METHOD OF Ni CATALYST USING BENTONITE AS THE SUPPORT MATERIAL Haerudin, Hery; Tursiloadi, Silvester; Widiyarti, Galuh; Rahayu, Wuryaningsih Sri
Indonesian Journal of Chemistry Vol 3, No 2 (2003)
Publisher : Universitas Gadjah Mada

Show Abstract | Download Original | Original Source | Check in Google Scholar | Full PDF (260.377 KB) | DOI: 10.22146/ijc.21895

Abstract

Nickel catalyst has been prepared impregnation and precipitation with nickel content of 20% and 25% each using bentonite as support material. The effects of the preparation method were studied using temperature programmed oxidation (TPO) and temperature programmed reduction (TPR) and by determination of its specific surface area. The activity of catalysts has been tested in the hydrogenation of palm oil. The catalyst with 20% of nickel and prepared by impregnation shows a single peak at 301°C, compared to catalyst with 25% of nickel prepared by the same method which has a peak at 304°C and a shoulder at 330°C. The reduction curves of both catalysts, those are prepared by impregnation, show a homogeneity indicated by a high main peak at 426°C (20% Ni) and 430°C (25% Ni). The 25% nickel catalyst by impregnation has a shoulder at 508°C. The catalysts prepared by precipitation show peaks at 508°C and 661°C for 20% of Ni and peaks at 419°C and 511°C for 25% of Ni. The reduction curves of catalysts prepared by precipitation are significantly different from each other. Those are also very different comparing to the reduction curve of impregnated catalyst. The 20% precipitated nickel catalyst has a single peak at 540°C, but the 25% precipitated nickel catalyst shows peaks at 346°C and 503°C. The differences of peak position among the reduction curves of catalysts resulted in the differences of catalyst activities with the following order 20% Ni (impregnation) > 25% Ni (impregnation) > 20% Ni (precipitation) > 25% Ni (precipitation).   Keywords: bentonite, nickel catalyst, hidrogenation
STUDY ON THE SYNTHESIS OF MONOLAURIN AS ANTIBACTERIAL AGENT AGAINTS Staphylococcus aureus Widiyarti, Galuh; Hanafi, Muhammad; Soewarso, Wahyudi Priyono
Indonesian Journal of Chemistry Vol 9, No 1 (2009)
Publisher : Universitas Gadjah Mada

Show Abstract | Download Original | Original Source | Check in Google Scholar | Full PDF (1953.271 KB) | DOI: 10.22146/ijc.21569

Abstract

The monolaurin compound had been synthesized from lauric acid and glycerol by using sulfuric acid (H2SO4) as catalyst. The synthesis of monolaurin was done by batch esterification on the free solvent system. The esterification reaction was performed on the equivalent mol ratio between lauric acid and glycerol 1:1, in the presence of 5% H2SO4, at 130 °C, for 6 hours, produced ester compounds on 59.29%. The products of column chromatography on silica gel purification are monolaurin and dilaurin in amount of 31.05 and 4.48%, respectively. The monolaurin and dilaurin were identified by TLC, FTIR, GC-MS, and NMR spectrometer. The spectral data of monolaurin was compared to spectral data of standard monolaurin. The result of NMR identifications showed that synthesis products were a-monolaurin and a,a-dilaurin. The antibacterial activity of synthesis products was tested against Staphylococcus aureus. The activity result showed that the antibacterial activity of monolaurin is more active than dilaurin.   Keywords: monolaurin, esterification, identification, antibacterial activity.
AKTIVITAS INHIBISI ?-GLUKOSIDASE GRANULAR TEH HIJAU (Camellia sinensis) GRADE Arraca Yabukita HASIL DIAFILTRASI MENGGUNAKAN MEMBRAN NANOFILTRASI Widiyarti, Galuh; Susilowati, Agustine; Aspiyanto, -
Teknologi Indonesia Vol 35, No 1 (2012)
Publisher : LIPI Press

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.14203/jti.v35i1.176

Abstract

The activity of ?-glucosidase inhibition test of local granular green tea (Camellia sinensis) grade of Arraca Yabukita has been done. Granular green tea obtained by vacuum drying of the concentrate of the diafiltration process using nanofiltration membrane (DF-NF) at 50C for 0-80 hours. Every 8 hours of drying time, the analysis of water content, total polyphenols, and ?-glucosidase inhibitory activity of granular green tea were conducted. The?-glucosidase inhibitory activity test was performed by by Kim Yong-Mu method and compared to quercetin as standard. The results showed that, the drying process increases the ?-glucosidase inhibitory activity of granular green tea. At the optimum drying time 72 hours, the ?-glucosidase inhibitory activity of granular green tea is about 18 times higher than quercetin.
Pembuatan Sediaan Oral Nutraceutical dari Ekstrak Gambir WIDIYARTI, GALUH; SUNDOWO, ANDINI; ANGELINA, MARISSA
JURNAL ILMU KEFARMASIAN INDONESIA Vol 12 No 2 (2014): JIFI
Publisher : Fakultas Farmasi Universitas Indonesia

Show Abstract | Download Original | Original Source | Check in Google Scholar | Full PDF (540.757 KB)

Abstract

Katekin merupakan salah satu senyawa bioaktif yang terkandung dalam gambir. Hasil studi pendahuluan menunjukkan bahwa katekin aktif sebagai antioksidan dan antibakteri, sehingga berpotensi sebagai oral nutraceutical pencegah plak gigi. Pada studi ini, akan dilakukan pembuatan oral nutraceutical dalam bentuk obat kumur dari ekstrak gambir dengan memvariasikan kandungan senyawa aktif katekin dari  ekstrak gambir sebagai parameter formulasi obat kumur, yaitu 0,01-0,1% (b/v). Obat kumur yang dihasilkan, dianalisa pH, aktivitas antioksidan, antibakteri, dan ukuran partikelnya. Hasil studi ini menunjukkan bahwa obat kumur dengan kandungan senyawa aktif katekin 0,01-0,08% (b/v) menghasilkan obat kumur berukuran nano.
AKTIVITAS PENANGKAPAN RADIKAL BEBAS DAN POTENSI ANTIHIPERGLIKEMIK BEBERAPA GAMBIR DARI BEBERAPA PASAR INDONESIA WIDIYARTI, GALUH; SUNDOWO, ANDINI
JURNAL ILMU KEFARMASIAN INDONESIA Vol 10 No 2 (2012): JIFI
Publisher : Fakultas Farmasi Universitas Indonesia

Show Abstract | Download Original | Original Source | Check in Google Scholar | Full PDF (1264.639 KB)

Abstract

Gambir (Uncaria gambier) telah diketahui mempunyai aktivitas antioksidan karena mengandung polifenol. Penelitian ini bertujuan untuk mengetahui aktivitas penangkapan radikal bebas dan potensi antihiperglikemik sebagai inhibator  α-glukosidase dari gambir yang dikoleksi dari beberapa pasar Indonesia. Isolasi katekin dilakukan dengan cara ekstraksi dengan menggunakan pelarut etil asetat. Analisis awal katekin yang terkandung dalam ektrak kering gambir dilakukan dengan KLT. Evaluasi berat molekul dan kandungan katekin pada ekstrak kering gambir dilakukan masing-masing dengan spektroskopi massa dan spektrofotometer. Aktivitas penangkapan radikal bebas diukur dengan menggunakan 1, 1-difenil-2-pikrilhidrazil (DPPH) sebagai sumber radikal bebas. Potensi antihiperglikemik ekstrak kering gambir dianalisis sebaga inhibator α-glukosidase. Hasil penelitian menunjukan bahwa beberapa gambir yang ada di pasar Indonesia sangat aktif sebagai antioksidan, yang ditunjukkan dengan nilai IC50 dari 4,6 sampai 18,2 µg/mL. Nilai IC50 untuk inhibisi α-glukosidase bervariasi antara 40,45 sampai 52,43 µg/mL, dan diklasifikasikan sebagai antioksidan moderat.
Synthesis, Characterization, Anticancer and In Silico ADME Properties of Caproic Acid Derivatives against P388 Cancer Cell Lines Widiyarti, Galuh; Sundowo, Andini; Megawati, Megawati; Ernawati, Teni
Indonesian Journal of Pharmaceutical Science and Technology Suppl. 1, No. 2 (2019)
Publisher : Indonesian Journal of Pharmaceutical Science and Technology

Show Abstract | Download Original | Original Source | Check in Google Scholar | Full PDF (435.563 KB) | DOI: 10.24198/ijpst.v1i2.20192

Abstract

The in-silico properties of absorption, distribution, metabolism, and excretion (ADME) and drugs likeness of caproic acid ester derivativeswere evaluated. The esterification of caproic acid from palm kernel oil with sitronelol and geraniol from citronella oil has been carried out using base (NaOH) catalyst. The cytotoxicity of ester compounds were also tested against P388 murine leukemia cancer cell lines using MTT method. Analysis of the ester productswere carried outusing spectroscopic (IR, MS and 1H-NMR) methods, which were confirmed that the desired compounds were successfully synthesized. Caproic acid ester derivatives showed higher anticancer activity compared to the parent caproic acid for P388 cancer cell lines. Citronellyl caproate with IC50 4.15x10-2µM has the strongeractivity than geranyl caproate with IC50 11x10-2 µM.  ADME studies for the synthesized compounds revealed that the ester compounds have fulfill the Lipinski rule of five and has no carcinogenicity effect to rat or mouse.Key words: caproic acid, ester, P388, MTT, ADME
KARAKTERISASI KATALIS CU-CR /KIESELGUHR Widiyarti, Galuh
Reaktor Volume 5 No. 1 Juni 2001
Publisher : Dept. of Chemical Engineering, Diponegoro University

Show Abstract | Download Original | Original Source | Check in Google Scholar | Full PDF (2657.457 KB) | DOI: 10.14710/reaktor.5.1.12-15

Abstract

Copper-chromite active metal catalyst was prepared by using impregnation method with kieselguhr (Al2O3SiO2) as supporting material. The content of metal active was 20% with 1:1 proportion of complex metal Cu : Cr. The specific surface area of catalyst gave specific surface area of 2,537 m2/ gram. X-ray Diffraction analysis, shown that active metal of Cu-copper Cu and cristobalite SiO2. Temperature program analysis, shown that reduction temperature of catalyst was 300 0Cusing by Scanning Electronic Microscope (SEM), the morphology of catalyst was determined.Keyword : Copper-Chromite catalyst, impregnation, Kieselguhr