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PRODUKSI ASAM LEMAK OLEAT OLEH MIKROBA ENDOFIT Sporodiobolus salimonicolor DARI TUMBUHAN KINA (Cinchona pubescens Vahl.) Mumpuni, Esti; ., Amalia; Parwati, Titi; Simanjuntak, Partomuan
Alchemy Jurnal Penelitian Kimia Vol 3, No 2 (2004)
Publisher : Alchemy Jurnal Penelitian Kimia

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Abstract

Fermentasi mikroba endofit dari tannaman kina (Cinchona pubescens Vahl.) dalam medium Phoma telah dilakukan. Hasil fermentasi selama 8 hari diekstraksi dengan diklormetan diperoleh asam lemak yaitu asam oleat dalam bentuk cis. Hasil ini dipertegas oleh spectra RMI (proton dan karbon) dan spektramassa (GC-MS).
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

Abstract

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).
VIRTUAL SCREENING COMPOUNDS IN FABACEAE PLANTS AS LIGANDS ON ALPHA ESTROGEN RECEPTOR (ER-α) LH, Gulo; Mumpuni, Esti
Jurnal Tumbuhan Obat Indonesia Vol 8, No 2 (2015): Jurnal Tumbuhan Obat Indonesia
Publisher : Badan Penelitian dan Pengembangan Kesehatan

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.22435/jtoi.v8i2.6409.37-40

Abstract

Family Fabaceae has about 730 genera and 19.400 species. Some plant of family Fabaceae are known to have activity as an anti-breast cancer. This study does a series of computational chemistry method in virtual or in silico screening to compounds in the plant of family Fabaceae that are Abrus schimperi, Caesalpinia bonduc, Dalbergia vacciniifolia, Eriosema robustum, Erythrina falcata, Flemingia macrophylla, Genista saharae, Trifolium pratense L., Pachyrhizus erosus and Pissum sativum. The aim of this study is to find candidates of compounds as active ligands on estrogen receptor alpha (ER-α) by in silico and elucidating the amino acids contained in the binding site of compounds by using virtual screening. This protocol uses operating system LINUX Ubuntu LTS 14.04 with integrated applications such as SPORES, PLANTS 1.2, BKChem, Open Babel, R Computational Statistics and PyMOL, ZINC 01914469 as comparator compound, 4-[4-hydroxy-3-(prop-2-en-1-yl) phenyl]-2-(prop-2-en-1-yl) as reference compound and 4-hydroxytamoksifen as positive control. The results of virtual screening conducted on 60 compounds from ten plant of family Fabaceae obtained 24 compounds are actively in the binding pocket of ER-α. The important amino acids to affinity compounds with estrogen receptor alpha (ER-α) is GLU353, ARG394, ASP351 and THR347.    
Produksi Senyawa Kuinina dengan Fermentasi Mikroba Endofit Tanaman Cinchona pubescens Vahl. Mumpuni, Esti; Suryadi, Herman; Simanjuntak, Partomuan
JURNAL ILMU KEFARMASIAN INDONESIA Vol 3 No 2 (2005): JIFI
Publisher : Fakultas Farmasi Universitas Indonesia

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Abstract

This study deals with endophytic microbes, known as a potential source of secondary metabolites. The microbes (F) were isolated from Cinchona pubescens Vahl and fermented in Phoma media, observing the pH, biomass growth and secondary metabolites of alkaloids for 14 days. The result obtained showed that the pH was between 4 and 5, the biomass growth relative stable after 8 days and the production of alkaloids reached its maximum also after 8 days (32.81 mg/l).
Virtual Screening and Bonding Mode Elucidation of Curcumin Analogue in Cyclooxygenase-2 Enzyme Using EE_COX2_V.1.0 Protocol MUMPUNI, ESTI; NURROCHMAD, ARIEF; JENIE, UMAR ANGGARA; PRANOWO, HARNO DWI
JURNAL ILMU KEFARMASIAN INDONESIA Vol 13 No 2 (2015): JIFI
Publisher : Fakultas Farmasi Universitas Indonesia

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Abstract

Curcumin is the yellow colored phenolic compounds contained in Curcuma longa. Curcumin is known to have biological activity as an inhibitor of some metabolic enzymes. The structure modification of curcumin has been done in many ways. In this research, virtual screening and bonding mode elucidation of curcumin analogue were done using EE_COX2_V.1.0 as validated structure based virtual screening (SBVS) protocol. Docking simulations were done using a variety of integrated applications such as, SPORES, PLANTS, BKchem, OpenBabel and Pymol which are able to identify cyclooxygenase-2 (COX-2) inhibitor substances. From the virtual screening using EE_COX2_V.1.0 protocol, demetoxicurcumin with 3 active amino acid residues and 1,7-bis(3-metoxiphenyl)-1,6-heptadiene-3,5-dion with 6 amino acid residues were obtained as active COX-2 inhibitors.
Konstruksi dan Validasi Protokol Skrining Virtual Berbasis Struktur dengan Kode PDB 3MQE, 3NTG, dan 3LN0 untuk Penemuan Inhibitor Siklooksigenase-2 (COX-2) MUMPUNI, ESTI; WIDARSA, ARGUN; SUSILAWATI, YANTI; OISAN, OISAN; NURROCHMAD, ARIEF; PRANOWO, HARNO DWI; JENIE, UMAR ANGGARA; ISTYASTONO, ENADE PERDANA
JURNAL ILMU KEFARMASIAN INDONESIA Vol 12 No 1 (2014): JIFI
Publisher : Fakultas Farmasi Universitas Indonesia

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Abstract

Seiring dengan tingginya penggunaan obat inhibitor COX-2 di pasaran serta efek samping yang ditimbulkan oleh obat-obat yang beredar saat ini maka penemuan obat inhibitor COX-2 baru dibutuhkan untuk mencari obat yang selektif terhadap COX-2 dan memberikan efek samping yang minimal. Salah satu metode yang efektif dan efisien untuk penemuan obat baru yaitu in silico. Telah dilakukan penelitian konstruksi dan validasi protokol skrining virtual berbasis struktur dengan kode protein PDB 3NTG, 3MQE dan 3LN0 menggunakan perangkat lunak PLANTS, SPORES, BKChem dan Open Babel untuk penemuan inhibitor COX-2 baru. Dalam penelitian ini digunakan dataset ligan-ligan aktif COX-2 dan pengecohnya (decoy) dari The directory of useful decoys (DUD) untuk validasi retrospektif protokol, yang terdiri dari 426 inhibitor COX-2 dan 13289 decoy. Berdasarkan kriteria nilai EF20% dan EFmax dalam artikel Huang et al (2006) dan Yuniarti et al (2011) dihasilkan dua protokol menunjukkan hasil yang sangat baik dan baik yaitu protokol tervalidasi AYO_COX2_v.1.1 dan AYO_COX2_v.1.2
Toksisitas dan Anti-inflamasi Senyawa 1,5-Bis(3’-Etoksi-4’-Hidroksifenil)-1,4- Pentadien-3-on (EHP) MUMPUNI, ESTI; RAHAYU, LESTARI; NURROCHMAD, ARIEF
JURNAL ILMU KEFARMASIAN INDONESIA Vol 13 No 1 (2015): JIFI
Publisher : Fakultas Farmasi Universitas Indonesia

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Abstract

Senyawa 1,5-bis(3’-etoksi-4’-hidroksifenil)-1,4-pentadien-3-on (EHP) adalah senyawa analog kurkumin, telah disintesis sebelumnya dengan metode kondensasi aldol dan terbukti mempunyai aktivitas antioksidan lebih tinggi daripada kurkumin. Telah dilakukan uji keamanan bahan calon obat meliputi uji toksisitas (LD50) dengan metode Weil C.S. dan uji aktivitas antiinflamasi secara in vivo. Nilai LD50 dari senyawa EHP adalah sebesar 6,8675 g/kg BB dengan kriteria toksik ringan sehingga cukup aman sebagai calon bahan obat. Aktivitas anti-inflamasi senyawa EHP diaanalisis dengan mengukur derajat bengkak pada kaki tikus. Hasil uji efek anti-inflamasi EHP dosis 137,35 mg, 274,70 mg dan 549,40 mg sama dengan aspirin 90 mg/200 g BB.
Penapisan Virtual Senyawa–Senyawa dalam Famili Zingiberaeae sebagai Antiinflamasi Menggunakan Protokol EE_COX2_V.1.0 Mulatsari, Esti; Mumpuni, Esti; Sandayu, Feriza
Jurnal Jamu Indonesia Vol 2 No 2 (2017): 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.v2i2.33

Abstract

Berbagai penelitian tentang sifat-sifat anti-inflamasi dan anti-kanker dari berbagai senyawa dalam tanaman familia Zingiberaceae telah dilakukan baik secara in vivo maupun in vitro. Enzim yang diinduksi dan diekspresikan pada sel-sel inflamasi dan kanker dianggap sebagai target obat yang ideal untuk menghambat peradangan dan tumorgenesis, salah satunya adalah enzim siklooksigenase-2 (COX-2). Dalam penelitian ini telah dilakukan penapisan virtual senyawa dalam tanaman Kaemferia galanga, Curcuma domestica Val., Zingiber officinale dan Curcuma xanthorrhiza. Tujuan dari penelitian ini adalah untuk mengetahui aktivitas senyawa-senyawa tersebut sebagai penghambat enzim COX-2 secara in-silico. Penelitian ini menggunakan EE_COX2_V.1.0, protokol Structure Based Virtual Screening (SBVS) yang telah divalidasi oleh Mumpuni et al. 2014. Protokol EE_COX2_V.1.0 menggunakan berbagai aplikasi terintegrasi seperti SPORES, PLANTS, BkChem, OpenBabel dan PyMOL. Elusidasi moda ikatan dilakukan terhadap senyawa representatif aktif dan tidak aktif untuk melihat interaksi asam amino dalam binding site senyawa. Berdasarkan skor ChemPLP sebagai hasil dari simulasi docking yang dilakukan pada 27 senyawa, ada 3 senyawa yang berpotensi aktif dalam menghambat COX-2, senyawa tersebut antara lain 2-butil-3- (4-metoksifenil) -2- asam propenoat dengan 6 residu asam amino aktif, 6-shogaol dengan 10 residu asam amino aktif dan desmetoksikurkumin dengan 4 residu asam amino yang aktif.
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 : Jurnal Farmasi Indonesia

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

Abstract

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).
Docking Molekular dari Trigonella foenum-graceum sebagai Antidiabetes menggunakan Molegro Virtual Docking Prasetiyo, Andri; Mumpuni, Esti; R. Tjandrawinata, Raymond
Jurnal Jamu Indonesia Vol 4 No 2 (2019): 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.v4i2.132

Abstract

Trigonella foenum-graceum atau fenugreek digunakan secara luas  sebagai obat tradisional  untuk pengobatan diabetes tetapi mekanisme kerjanya masih belum jelas. Penelitian bertujuan memprediksi senyawa dalam fenugreek yang berkhasiat sebagai antidiabetes secara in-silico dengan menggunakan perangkat lunak Molegro Virtual Docking . Docking dilakukan 10 Senyawa uji dalam fenugreek yaitu 4-hidroxyisoleucine, coumarine, diosgenin, galactomannan, isovitexin, quarcetin, tigogenin, trigoneline, vitexin dan yamogenin dengan 3 reseptor yaitu sugar beet alpha-glucosidase- (PDB ID : 3W37), human dipeptidyl peptidase-4 (PDB ID : 1X70), human peroxisome proliferator activated gamma (PDB: 2PRG) serta senyawa pembanding acarbose, sitagliptin dan rosiglitazone. Dari 10 senyawa uji, galactomanann  memiliki nilai Rerank Score/RS paling rendah di dua reseptor yaitu alpha glucosidase dan peroxisome proliferator activated gamma dengan nilai berturut turut -116.56 kcal/mol dan -131.18 kcal/mol dan nilai RS acarbose -113.60 kcal/mol dan rosiglitazone -124.54 kcal/mol . Dari 10 senyawa uji, tigogenin memiliki nilai RS paling rendah direseptor dipeptidyl peptidase-4 dengan nilai RS -86.54 kcal/mol dan nilai RS sitagliptin -87.02 kcal/mol. Berdasarkan nilai RS, galactomannan diprediksi memiliki aktivitas antidiabetes yang bekerja pada reseptor alpha-glucosidase dan peroxisome proliferator activated gamma sedangkan tigogenin diprediksi memiliki aktivitas antidiabetes yang bekerja pada reseptor dipeptidyl peptidase-4.