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Analisis Selektivitas Senyawa Turunan Diosmetin Sebagai Antioksidan Baru dengan menggunakan Metode MolecularDocking Martati, Titiek; Mumpuni, Esti; Mulatsari, Esti; Maryanto, Kenny
Jurnal Farmasi Indonesia Vol 10, No 1 (2018)
Publisher : Indonesian Research Gateway

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.35617/jfi.v10i1.581

Free radicals are compounds that have nofree electron pair, so it ws unstable and too reactive, to be able to ward off free radicals, required an antioxidant. Antioxidant can prevent the occurrence of oxidative reactions that can cause various diseases. The commonly used antioxidant compounds are vitamin C, vitamin E, and flavonoids. One of flavonoid compound that have the potential to be developed into antioxidants is diosmetin. The results of the study using the QSAR method, state that some of diosmetin derived compounds have better antioxidant activity than diosmetin. In this research, the selectivity of diosmetin derived compounds in several enzymes as an antioxidant was tested by using molecular docking methods. Software used for molecular docking were PLANTS, YASARA, MarvinSketch. This study used 15 diosmetin derived compounds, diosmetin as a parent compound, and comparison compounds used were vitamin C, vitamin E, and quercetin. Validated target proteins are 7 (seven) receptors with PDB codes 1QQW, 1V4S, 1XAN, 2BEL, 2C9V, 4K7O, and 5M2F. The results of this study have obtained the best selective compounds to receptors and compounds in each receptor. The best compounds are 6,8-difluoro diosmetin (1QQW), 8-amine diosmetin (1V4S), 6.8-difluoro diosmetin (1XAN), 6.8-diamine diosmetin (2BEL), 5'-amine diosmetin ( 2C9V), 5'-amine diosmetin (4K7O), and 8-amine diosmetin (5M2F). Free radicals are compounds that have nofree electron pair, so it ws unstable and too reactive, to be able to ward off free radicals, required an antioxidant. Antioxidant can prevent the occurrence of oxidative reactions that can cause various diseases. The commonly used antioxidant compounds are vitamin C, vitamin E, and flavonoids. One of flavonoid compound that have the potential to be developed into antioxidants is diosmetin. The results of the study using the QSAR method, state that some of diosmetin derived compounds have better antioxidant activity than diosmetin. In this research, the selectivity of diosmetin derived compounds in several enzymes as an antioxidant was tested by using molecular docking methods. Software used for molecular docking were PLANTS, YASARA, MarvinSketch. This study used 15 diosmetin derived compounds, diosmetin as a parent compound, and comparison compounds used were vitamin C, vitamin E, and quercetin. Validated target proteins are 7 (seven) receptors with PDB codes 1QQW, 1V4S, 1XAN, 2BEL, 2C9V, 4K7O, and 5M2F. The results of this study have obtained the best selective compounds to receptors and compounds in each receptor. The best compounds are 6,8-difluoro diosmetin (1QQW), 8-amine diosmetin (1V4S), 6.8-difluoro diosmetin (1XAN), 6.8-diamine diosmetin (2BEL), 5'-amine diosmetin ( 2C9V), 5'-amine diosmetin (4K7O), and 8-amine diosmetin (5M2F). Free radicals are compounds that have nofree electron pair, so it ws unstable and too reactive, to be able to ward off free radicals, required an antioxidant. Antioxidant can prevent the occurrence of oxidative reactions that can cause various diseases. The commonly used antioxidant compounds are vitamin C, vitamin E, and flavonoids. One of flavonoid compound that have the potential to be developed into antioxidants is diosmetin. The results of the study using the QSAR method, state that some of diosmetin derived compounds have better antioxidant activity than diosmetin. In this research, the selectivity of diosmetin derived compounds in several enzymes as an antioxidant was tested by using molecular docking methods. Software used for molecular docking were PLANTS, YASARA, MarvinSketch. This study used 15 diosmetin derived compounds, diosmetin as a parent compound, and comparison compounds used were vitamin C, vitamin E, and quercetin. Validated target proteins are 7 (seven) receptors with PDB codes 1QQW, 1V4S, 1XAN, 2BEL, 2C9V, 4K7O, and 5M2F. The results of this study have obtained the best selective compounds to receptors and compounds in each receptor. The best compounds are 6,8-difluoro diosmetin (1QQW), 8-amine diosmetin (1V4S), 6.8-difluoro diosmetin (1XAN), 6.8-diamine diosmetin (2BEL), 5'-amine diosmetin ( 2C9V), 5'-amine diosmetin (4K7O), and 8-amine diosmetin (5M2F).

ANALISIS QSAR SENYAWA TURUNAN DIOSMETIN SEBAGAI ANTIOKSIDAN BARU DENGAN METODE SEMI EMPIRIK AM 1 Mulatsari, Esti; Martati, Titiek; Mumpuni, Esti; Hidayat, Andika Muhammad
Jurnal Farmasi Indonesia Vol 11, No 2 (2019)
Publisher : Jurnal Farmasi Indonesia

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.35617/jfi.v11i2.672

Diosmetin is a bioflavonoid that abundant in nature and it is flavone derived compound that have low antioxidant activity so the utilization of diosmetin as an antioxidant is very rare. To optimize the utilization of diosmetin as an antioxidant, diosmetin chemical structure was developed using QSAR methode. Quantitative Structure and Activity Relationship (QSAR) analysis of 195 diosmetin derived compound have been performed using electronic descriptors i.e heat formation, HOMO energy, LUMO energy, Log P value, mass, C2, C4, and C4?. The electronic structure as descriptor were analyzed using Hyperchem 8.0.6 software for Windows 7.0 using AM1 semi-empirical method. The descriptors were obtained by molecular modelling to obtain the most stabile structure after geometry optimation process. The best QSAR equation model was determined by multilinier regression approach. The best QSAR equation is ?log IC50 = 70.52781 + (-0.0298 Panas Pembentukan) + (3.627483 Energi HOMO) + (-0.48695 Energi LUMO) + (0.274203 Energi Hidrasi) + (-3.43515 Log P) + (-0.17476 Massa) + (26.95107 muatan atom C2) + (-3.67587 muatan atom C4) + (-3.85701 muatan atom C4?). The result of the IC50 prediction value showed that 3,6-diamin diosmetin is a diosmetin derived compound that have the best antioxidant activity with IC50 value 0.33 µg/mL.

Aplikasi Metode Aktivasi Netron untuk Penetapan Mineral Selenium dalam Produk Suplemen Kesehatan Titiek Martati; June Mellawati
JURNAL ILMU KEFARMASIAN INDONESIA Vol 3 No 2 (2005): JIFI
Publisher : Fakultas Farmasi Universitas Pancasila

Show Abstract | Download Original | Original Source | Check in Google Scholar | Full PDF (701.76 KB)

Recently, there are some health supplement products that are useful as an antioxidant in the market, and one of them is Selenium (Se) tablet. Therefore issue of falsification of drug due to the control of health supplement product become very important. In this research the determination of Se in health supplement tablet using neutron activation analysis has been carried out. Sample was irradiated using thermal neutron with 1013 neutron cm-?secondfluxes within 15 minutes, and based on n, y reaction 75Se isotope would be formed that could identified using Gamma spectrometer on 136, 264, and 279 keV energies. The result showed that neutron activation analysis method can analysis Se mineral that contained in health supplement tablet with accuracy ranged between 101.81 – 102.29 % and precision 99.02 -99.37%. The recovery test of Se mineral concentration to the labeled attached showed 105.79 - 116.66%, and this value was still in the recommended range according to the USP 28 (90 – 125%).

Specificity of Mercury Detecting Reagents for Skin Lightening Creams Liliek Nurhidayati; Titiek Martati; I Wayan Redja; Nofanti Sandra
JURNAL ILMU KEFARMASIAN INDONESIA Vol 16 No 1 (2018): JIFI
Publisher : Fakultas Farmasi Universitas Pancasila

Inorganic mercury compound have been used for long time in cosmetics preparations for its skin lightening effect. The used of mercury in cosmetics has been prohibited as stipulated in the decision of the BPOM RI (Head of the Food and Drug Supervisory Agency) No.HK.00.01.432.6147. Based on health department research from various countries, there are a number of skin lightening products containing mercury between 660-57.000 μg/kg. People needs a quick and easy way to detect mercury in a lightening cream, so that people can test the safety of cream that used. One alternative that can be used to detect mercury in skin lightening cosmetics is using detecting reagents. The aim of this study was preparation of specific and sensitive mercury detecting reagents. The detecting reagents consisted mixtures of diphenylcarbazone and acetic acid in 96% of ethanol. The specificity test is performed by adding diphenylcarbazone solution into a lightening cream containing whitening agents such as mercury, hydroquinone, bangkuang extract and mixture of these substances. Assay was also performed on simulated cream that contained mercury, zinc oxide, bismuthsubnitrate, and mixture of mercury, zinc oxide and bismuthsubnitrate. The mercury detecting reagents gives a distinctive result that shown by the formation of purple mercury complex in less than 3 minutes.

Uji Aktivitas Sitotoksik dan Antioksidan Ekstrak Daun Keladi Tikus (T yphonium divaricatum (L) Decne) YUNAHARA FARIDA; TITIEK MARTATI; AHMAD MUSIR; BERNARD EDWARD
JURNAL ILMU KEFARMASIAN INDONESIA Vol 8 No 2 (2010): JIFI
Publisher : Fakultas Farmasi Universitas Pancasila

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Cytotoxic and antioxidant activities of Typhonium divaricatum (L) Decne leaves extract have been explored. Preliminary phytocheinical screening on the extract were carried out for the compound`s profile. Biological activity was measured by using Brine Shrimp Lethality Test (BSLT), while cytotoxic activity was conducted on breast cancer cell line T-47D using MTT method, Antioxidant activity was measured by using DPPH free radical scavenging method. The results of phytochemical screening showed that the methanol extract contained Havonoid, saponin and steroid/triterpenoid compounds, meanwhile thc n-hexane extract contained steroid/triterpenoid compounds only. The highest biological activity was found in methanol extract (IC50 = 32.9 ppm). The highest cytotoxic activity was shown by n-hexane extract (IC50 = 32.50 ppm). The highest antioxidant activity using vitamin C as positive control was found in methanol extract (IC50 = 56.63 ppm). The preliminary results indicated that Typhonium divaricatum (L) Decne lcavcs is potential for anticancer and free radical scavenger.

Formulasi Gel NLC Ekstrak Kalus Daun Murbei Hasil Induksi dengan NAA dan BAP Faizatun Faizatun; Erlindha Gangga; Sarah Anindita; Titiek Martati; Nur Miftahurrohmah
JURNAL ILMU KEFARMASIAN INDONESIA Vol 18 No 1 (2020): JIFI
Publisher : Fakultas Farmasi Universitas Pancasila

Mulberry Leaf (Morus alba L.) contains oxyresveratrol has the potential as a skin lightener. The activity of mulberry leaf callus from tissue culture is unknown as an inhibitor of the tyrosinase enzyme. The purpose of this study was to determine the activity callus extracts of mulberry leaf which obtained from tissue culture with the addition of growth regulator NAA 1.0 ppm and BAP 2.5 ppm and to formulate callus extract in Nanostructured Lipid Carrier and its characteristics. Callus was extracted by maceration-sonication. NLC is made by solvent evaporation method, NLC characterization including particle size, polydispersity index, zeta potential and particle morphology. The best NLC was made into a gel and evaluated organoleptic, viscosity, flow properties, pH, and tyrosinase enzyme inhibitory on extracts and NLC gels. The characterization of NLC includes particle size of 189.8 nm-632.8 nm; polydispersity index, 0.387-0.582. The morphology of NLC were spherical and zeta potential of -7.37 mV. NLC gel was semi-solid, greenish yellow, homogeneous, viscosity 530000 cPs, plastic thixotropic flow properties, pH 5.26, and inhibitory activity of tyrosinase enzymes (IC50) of callus extract and NLC gel has 72.51 µg/ml and 79.69 µg/ml, respectively. It can be concluded that callus extract of Mulberry leaf can be prepared into Nanostructured Lipid Carriers, NLC gels are physically and chemically stable and have the potential of lightening activity.

Studi Pengikatan Cadmium (II) pada Resin Anorganik Titanium Oksida dan Zirkonium Oksida Sunarhadijoso Soenarjo; Titiek Martati; Murti Winanti; Atmi Wirasti
JURNAL ILMU KEFARMASIAN INDONESIA Vol 3 No 1 (2005): JIFI
Publisher : Fakultas Farmasi Universitas Pancasila

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Immobilization of Cd-(II) in production technology of indium medical radioisotopes (lll In or 115min) by means of 112Cd (p, 2n) 11 In or 114Cd (n,y) 115Cd 115mIn nuclear reaction is an important step regarding to the quality of the produced radioactive indium and efficiency of the utilization of the enriched targets (112Cd or 114Cd). The phenomena and capacity of Cd-(II) immobilization were studied using two kinds of inorganic oxide resins, i.e. titanium oxide and zirconium oxide. The aim of this study is gaining experimental data supporting the utilization of the resins in the production of 111In and 115min. The immobilization of Cd-(II) was proceeded by treating standard solutions of Cd-(II) with the resins followed by measurement of Cd-(II) content of the treated solution before and after treatment. The separation of the treated Cd-(II) solution from the resin was performed by means of centrifugation, while the measurement of Cd-(II) was performed by means of Ultra Violet spectrophotometry. The ready-used titanium oxide from Merck did not bind Cd-(II) even after being treated with several kinds of activating media. Zirconium oxide synthesized from the reaction of ZrOCI,. 8H,O with a basic solution of NaOH was in the form of the hydrate compound formulated as ZrO. nH,O with the value of n=(1.7034 +0.0186) and showed a capability to bind Cd-(II) higher than that of zirconium oxide synthesized with a basic solution of NH,OH or of the ready-used ZrO2. In general the Cd-(II)-binding capacity of Zro, tends to decrease with increasing of the amount of Zro.

In Silico Analysis of Antiviral Activity of Analog Curcumin Compounds Esti Mulatsari; Titiek Martati; Esti Mumpuni; Nidya Luciana Dewi
Jurnal Jamu Indonesia Vol. 5 No. 3 (2020): Jurnal Jamu Indonesia
Publisher : Pusat Studi Biofarmaka Tropika LPPM IPB; Tropical Biopharmaca Research Center - Bogor Agricultural University

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.29244/jji.v5i3.173

Some studies state that curcumin analog compounds can improve the bioavailability and biological activity of curcumin. One of the methods to predict the bioactivity of curcumin was computational using molecular docking method. This study has done bioactivity tests of curcumin analog compounds as antiviral using the molecular docking method with the software used are PLANTS, YASARA, MarvinSketch, and Pymol for visualization. This study used analog curcumin compounds derived from previous research. This study used five different viral reseptor types. The maraviroc, docosanol, ribavirin, and zanamivir were used as compound control in this research. The validated target protein consists of 5 (five) receptors with PDB codes 1V2I, 4WEG, 2HWI, 2QAD, and 3ALP. Based on this research, compounds that are predicted active as antiviral on each receptors that are: 2,5-bis(3,5-ditertbutyl-4-hydroxy benzyl)cyclopentanone (1V2I), 1,7- diphenyl-1,6-heptadiene-3,5-dione (4WEG), 1,7-bis(3,4-dibenzyloxiphenyl)-1,6-heptadiene-3,5-dione (2HWI), and 2,5-bis(3,5-ditertbutyl-4-hydroxybenzyl)cyclopentanone (3ALP).

Aktivitas Penangkap Radikal Bebas Ekstrak Etanol Kulit Buah Naga dengan Metode DPPH (1,1-Difenil-2-Pikrilhidrazil) Titiek Martati; Gigin Devita S.
Proceeding of Mulawarman Pharmaceuticals Conferences Vol. 3 (2016): Spesial Issue of Mulawarman Pharmaceuticals Conference Proceeding (Prosiding Semnas T
Publisher : Fakultas Farmasi, Universitas Mulawarman, Samarinda, Indonesia

Antioksidan merupakan senyawa yang dapat menghambat reaksi oksidasi dengan mengikat radikal bebas dan molekul yang sangat reaktif. Buah naga merupakan salah satu sumber antioksidan alami, merupakan satu jenis buah tropis dengan kandungan polifenol. Kulit buah naga merupakan limbah yang jarang dimanfaatkan, padahal kulit buah naga mengandung senyawa antioksidan kuat. Penelitian ini bertujuan untuk mengetahui aktivitas antioksidan sebagai penangkap radikal bebas dari ekstrak etanol 70% kulit buah naga merah (Hylocereus polyrhizus (F.A.C Weber) Britton & Rose) dan naga putih (Hylocereus undatus (Haw.) Britton & Rose) dengan metode DPPH (1,1-difenil-2-pikrilhidrazil). Ekstrak etanol 70% dibuat dengan metode maserasi, uji aktivitas antioksidan dilakukan dengan metode DPPH secara spektrofotometri visibel dengan vitamin C sebagai kontrol positif. Akivitas penangkap radikal bebas ekstrak etanol 70% dinyatakan dalam IC50. Hasil penelitian menunjukkan bahwa ekstrak etanol 70% kulit buah naga merah dan naga putih memiliki aktivitas sebagai penangkap radikal bebas. Nilai IC50 ekstrak kulit buah naga merah (76,19±2,44) µg/ml dan kulit buah naga putih memiliki nilai IC50 (101,75 ± 2,13) µg/ml, sedangkan vitamin C memiliki nilai IC50 3,81 µg/ml. Berdasarkan tabel anova data berbeda bermakna, menunjukkan adanya perbedaan aktivitas penangkap radikal bebas antara kulit buah naga merah dan naga putih.

Analisis QSAR senyawa turunan Diosmetin sebagai Antioksidan baru dengan metode Semi Empirik AM 1 Esti Mumpuni; Titiek Martati; Esti Mulatsari; Andika Muhammad Hidayat
JFIOnline | Print ISSN 1412-1107 | e-ISSN 2355-696X Vol. 11 No. 2 (2019): Jurnal Farmasi Indonesia
Publisher : Pengurus Pusat Ikatan Apoteker Indonesia

Diosmetin adalah bioflavonoid yang berlimpah di alam dan merupakan senyawa turunan flavon yang memiliki aktivitas antioksidan yang buruk, sehingga pemanfaatan senyawa ini sebagai antioksidan sangat jarang. Untuk mengoptimalkan pemanfaatan diosmetin digunakan metode QSAR. Analisis QSAR (Quantitative Structure-Activity Relationship) terhadap 195 senyawa turunan diosmetin sebagai senyawa antioksidan yang dilakukan dengan menggunakan deskriptor panas pembentukan, energi HOMO, energi LUMO, energi hidrasi, nilai Log P, massa, muatan atom C2, C4, dan C4’. Struktur elektronik sebagai deskriptor telah dilakukan perhitungan melalui perangkat lunak Hyperchem 8.0.6 untuk Windows 7.0 menggunakan metode semiempirik AM1. Deskriptor-deskriptor telah diperoleh melalui permodelan molekul untuk memperoleh struktur yang paling stabil setelah proses optimasi geometri . Nilai aktivitas biologis antioksidan (IC50) diperoleh melalui jurnal penelitian. Persamaan model QSAR terbaik ditentukan melalui pendekatan regresi multilinier dan diperoleh persamaan QSAR : –log IC50 = 70.52781 + (-0.0298 Panas Pembentukan) + (3.627483 Energi HOMO) + (-0.48695 Energi LUMO) + (0.274203 Energi Hidrasi) + (-3.43515 Log P) + (-0.17476 Massa) + (26.95107 muatan atom C2) + (-3.67587 muatan atom C4) + (-3.85701 muatan atom C4’), sehingga diperoleh hasil bahwa senyawa 3,6-diamin diosmetin merupakan senyawa turunan diosmetin dengan aktivitas antioksidan terbaik dengan nilai IC50 prediksi sebesar 0.33 µg/mL.

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