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All Journal Journal of Food and Pharmaceutical Science PROSIDING SEMINAR NASIONAL Jurnal Ilmiah Farmasi Journal of Mathematical and Fundamental Sciences Jurnal Riset Kimia JPS Unimus Majalah Obat Tradisional INDONESIAN JOURNAL OF PHARMACY Jurnal Farmasi Sains dan Komunitas Unnes Science Education Journal Jurnal Farmasi Galenika (Galenika Journal of Pharmacy) Indonesian Journal of Chemistry JSFK (Jurnal Sains Farmasi & Klinis) Jurnal Ilmu Kefarmasian Indonesia Jurnal Pengabdian Kesehatan Masyarakat Jurnal Farmasi Sains dan Praktis Prosiding Seminar Nasional Universitas Ma Chung Jurnal Manusia dan Lingkungan Journal of Food and Pharmaceutical Sciences Journal of Pharmascience Journal of Pharmaceutical Sciences and Community

Enade Perdana Istyastono

Department Of Pharmacy, Faculty Of Medicine And Health Sciences, Atma Jaya Catholic University Of Indonesia, Jalan Pluit Raya 2, Jakarta 14440, Indonesia

Author-ID : 290147

Agriculture, Biological Sciences & Forestry Humanities Astronomy Biochemistry, Genetics & Molecular Biology Chemical Engineering, Chemistry & Bioengineering Chemistry Computer Science & IT Dentistry Earth & Planetary Sciences Education Engineering Environmental Science Health Professions Immunology & microbiology Languange, Linguistic, Communication & Media Materials Science & Nanotechnology Mathematics Medicine & Pharmacology Neuroscience Nursing Physics Public Health Social Sciences Veterinary Other

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In vitro and In Silico Studies on Curcumin and Its Analogues as Dual Inhibitors for cyclooxygenase-1 (COX-1) and cyclooxygenase-2 (COX-2) Nunung Yuniarti; Perdana Adhi Nugroho; Aditya Asyhar; Sardjiman Sardjiman; Zullies Ikawati; Enade Perdana Istyastono
Journal of Mathematical and Fundamental Sciences Vol. 44 No. 1 (2012)
Publisher : Institute for Research and Community Services (LPPM) ITB

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.5614/itbj.sci.2012.44.1.5

Curcumin has been widely reported as an anti-inflammatory agent isolated from the plant Curcuma longa L. (turmeric). This anti-inflammatory activity was associated with the ability of this compound to inhibit the activity of both cyclooxygenase-1 (COX-1) and cyclooxygenase-2 (COX-2) in arachidonic acid metabolism. Dual COX-1 and COX-2 inhibitors are preferred to be employed in the therapy of chronic inflammatory diseases compared to selective inhibitors, since it was reported that the use of selective inhibitors led to severe adverse side effect. In the present study, in vitro and in silico assays on curcumin and its analogues as dual inhibitors for both COX-1 and COX-2 were performed. The results provide theoretical contribution in understanding the ligand-protein interactions at the molecular level to develop new curcumin analogues which possess better anti-inflammatory activity as well as to avoid unsolicited side effects.

REFLEKSI PRAKTIKUM KIMIA ORGANIK CALON PENDIDIK KIMIA MENGGUNAKAN REKAMAN VIDEO eko yuliyanto; Yosef Wijoyo; Enade Perdana Istyastono; Fitria Fatichatul Hidayah
JURNAL PENDIDIKAN SAINS UNIVERSITAS MUHAMMADIYAH SEMARANG Vol 6, No 2 (2018): JURNAL PENDIDIKAN SAINS UNIVERSITAS MUHAMMADIYAH SEMARANG
Publisher : Pendidikan Kimia Unimus

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.26714/jps.6.2.2018.76-83

Organic chemistry is one of the courses that must be taken by a pre-service teacher. However, not all students like the subject, on the other hand they have to learn. Practicum of Organic chemistry has been carried out for some time by chemistry education students. Therefore to bridge the gap and problems. It needs to be an improvement to find out the problem. Therefore it is necessary to reflect on organic chemistry practicum using videos. This research was in the form of observation of learning organic chemistry which was participated by 29 semester 3 chemistry education students with acetic acid synthesis material, saponification and synthesis of butyl acetate. Based on the results of the study concluded that 1). It is important to prepare students' skills in using equipment 2). Practical topics getting closer to everyday products, will be more interesting, 3).Preliminary confirmation before practicum is important to ensure student readiness, 4). Reflection is very helpful in reminding lecturers of the results of learning objectives.

UJI IN SILICO SENYAWA COUMESTROL SEBAGAI LIGAN RESEPTOR ESTROGEN ALFA Felicia Felicia; Enade Perdana Istyastono
Jurnal Farmasi Sains dan Komunitas (Journal of Pharmaceutical Sciences and Community) Vol 12, No 2 (2015)
Publisher : Sanata Dharma University

Breast cancer is a cancer caused by uncontrolled cell growth at breast tissue. One of the most common triggers of breast cancer is overexpression of estrogen receptor alpha (ER?). This researchs goal is to test the ability of coumestrol as the ligand of ER? with in silico method and to discover coumestrols binding pose inside the ER?s binding pocket. Coumestrols ability as ER?s ligand was tested using structure-based virtual screening (SVBS) method by Setiawati et al. (2014) that had been modified by Istyastono (2015). Results analysis was done using decision tree generated from recursive partition and regression tree method (RPART). If coumestrol is a ligand based on decision tree, it is concluded that coumestrol is active as ligand of ER?. At the end of analysis, coumestrols pose inside ER?s binding pocket was visualized using MacPyMol. From the test acknowledged that the smallest ChemPLP value of coumestrols pose was -83.1487. Coumestrol interacts with GLY420, ARG394, and GLU353 using hydrogen bonds. However, coumestrol were perceived as decoy according to decision tree. Hence, coumestrol could not be recognized as ER?s ligand by the protocol. Therefore, development of proper protocol to indentify ligand for ER? is required.

Konstruksi dan Validasi Protokol Skrining Virtual Berbasis Struktur dengan Kode PDB 3MQE, 3NTG, dan 3LN0 untuk Penemuan Inhibitor Siklooksigenase-2 (COX-2) ESTI MUMPUNI; ARGUN WIDARSA; YANTI SUSILAWATI; OISAN OISAN; ARIEF NURROCHMAD; HARNO DWI PRANOWO; UMAR ANGGARA JENIE; ENADE PERDANA ISTYASTONO
JURNAL ILMU KEFARMASIAN INDONESIA Vol 12 No 1 (2014): JIFI
Publisher : Fakultas Farmasi Universitas Pancasila

Show Abstract | Download Original | Original Source | Check in Google Scholar | Full PDF (1025.318 KB)

Cyclooxygenase-2 (COX-2) inhibitors are high demand drugs in the market. However, available COX-2 inhibitors nowadays have many side effects. Therefore, there is still a need to develop more potent selective COX-2 inhibitors and one of the method that has been prove the effectivity and eficiency for new drugs research is in silico. Structure-based virtual screening (SBVS) protocols were developed to find COX-2 inhibitors using the Protein-Ligand ANT System (PLANTS) docking software, SPORES, BKChem and Open Babel. The directory of useful decoys (DUD) dataset for COX-2 was used to validate the protocols retrospectively; the DUD consist of 426 known COX-2 inhibitors and 13289 decoys. Based on criteria value of EF20% and EFmax used in the article from Huang et al (2006) and Yuniarti et al (2011), two validated protocol, AYO_COX2_v.1.1 and AYO_COX2_v.1.2 , showed good results

Uji Iritasi Sediaan Gel Penyembuh Luka Ekstrak Etanol Daun Binahong Menggunakan Slug Irritation Test SRI HARTATI YULIANI; YUMI RAHMADANI; ENADE PERDANA ISTYASTONO
JURNAL ILMU KEFARMASIAN INDONESIA Vol 14 No 2 (2016): JIFI
Publisher : Fakultas Farmasi Universitas Pancasila

Show Abstract | Download Original | Original Source | Check in Google Scholar | Full PDF (2884.528 KB)

Penyembuhan luka adalah proses dinamik yang rumit dan belum sepenuhnya dimengerti. Proses penyembuhan luka terdiri dari 3 fase yaitu fase inflamasi, fase pembentukan jaringan dan fase remodeling. Lama fase inflamasi memegang peranan penting pada proses penyembuhan luka. Fase inflamasi yang panjang akan menyebabkan penundaan proses penyembuhan luka. Iritan dapat memperpanjang waktu pelepasan interleukin-1 and TNF-α. Hal tersebut akan menyebabkan matriks ekstraseluler yaitu suatu material penting dalam pembentukan jaringan baru terdegradasi. Sediaan penyembuh luka tidak boleh mengandung iritan, sehingga semua sediaan penyembuh luka harus diuji potensi iritasinya. Potensi iritasi gel penyembuh luka ekstrak etanol daun binahong telah diuji menggunakan slug irritation test. Validasi terhadap metode ini telah dilakukan dengan hasil sensitivitas dan spesifisitas masing-masing 100% pada nilai batas produksi mukus 8,79%. Metode ini valid untuk menentukan potensi iritasi terhadap suatu produk. Produksi mukus sediaan gel penyembuh luka ekstrak etanol daun binahong adalah 4,55% sehingga dapat disimpulkan sediaan tersebut tidak menimbulkan iritasi pada kulit.

Sidik Jari Interaksi Protein-Ligan Ansambel pada Konstruksi dan Validasi Protokol Penapisan Virtual Bertargetkan Reseptor Kemokine C-X-C Tipe 4 ENADE PERDANA ISTYASTONO; MUHAMMAD RADIFAR
JURNAL ILMU KEFARMASIAN INDONESIA Vol 15 No 1 (2017): JIFI
Publisher : Fakultas Farmasi Universitas Pancasila

Show Abstract | Download Original | Original Source | Check in Google Scholar | Full PDF (317.635 KB)

Structure-Based Virtual Screening (SBVS) protocols targeting C-X-C chemokine receptor type 4 (CXCR4) have been constructed by employing PLANTS 1.2 to perform molecular docking simulations and PyPLIF 0.1.1 to identify Protein-Ligand Interaction Fingerprint (PLIF). By using ChemPLP score from PLANTS 1.2 and Tc-PLIF from PyPLIF 0.1.1 to select best pose in the retrospective SBVS showed Enrichment Factor (EF) values of less than the EF value of the reference SBVS (17.5). Nevertheless, the retrospective SBVS campaigns have also resulted in PLIF bitstrings for all poses resulted from the molecular docking simulations.In this article, binary Quantitative Structure-Activity Relationship (QSAR) analysis employing new predictors ensemble PLIF resulted from the retrospective SBVS campaings, instead of using PLIF bitsrings from the best pose only, are presented. The ensemble PLIF as predictors were calculated by taking into account all poses with ChemPLP score lower than a certain ChemPLP score as the predefi ned cutoff , and subsequently for every compound the percentage of “on” interactions was calculated for every PLIF bitstring. The predefi ned cutoff was selected by performing systematic trials to obtain a ChemPLP score as the cutoff with the highest F-score and Matthews correlation coeffi cient (MCC) value.The results showed that the F-score and MCC values could reach 0.58 and 0.61, respectively with EF value of 323.47, which was much better than the EF value of the reference SBVS protocol.

Molecular Dynamics Simulations and Empirical Observations on Soy Lecithin Liposome Preparation Rini Dwiastuti; Muhammad Radifar; Marchaban Marchaban; Sri Noegrohati; Enade Perdana Istyastono
Indonesian Journal of Chemistry Vol 16, No 2 (2016)
Publisher : Universitas Gadjah Mada

Soy lecithin is a phospholipid often used in liposome formulations. Determination of water and phospholipid composition is one of the problems in the liposome formulation. This study is using molecular dynamics simulation and empirical observation in producing liposome preparations. Phospholipids 1,2-dilauroyl-sn-glycero-3-phosphoethanolamine (DLPE) were objected in molecular dynamics simulations using Coarse Grained Molecular Dynamics (CGMD) approaches. The result showed that the molecular dynamic simulations could be employed to predict the liposome size. The molecular dynamic simulations resulted in liposome size of 71.22 ± 2.54 nm, which was located within the range of the liposome size resulted from the empirical observations (95.99 ± 43.02 nm). Moreover, similar liposome forms were observed on both results of molecular dynamics simulations and empirical approaches.

Computer-Aided Drug Repurposing: A Cyclooxygenase-2 Inhibitor Celecoxib as a Ligand for Estrogen Receptor Alpha Enade Perdana Istyastono; Florentinus Dika Octa Riswanto; Sri Hartati Yuliani
Indonesian Journal of Chemistry Vol 15, No 3 (2015)
Publisher : Universitas Gadjah Mada

A cyclooxygenase-2 (COX-2) inhibitor celecoxib has been previously reported to have cytotoxic activities towards gastric, prostate, ovarian, colon and breast cancer cell lines. This article reports that the cytotoxic activities of celecoxib could be resulted from its activity as a potent ligand for estrogen receptor alpha (ERα). Aided by molecular docking simulations, an in silico test to examine whether celecoxib is a ligand for estrogen receptor alpha (ERα) was performed followed by in vitro test employing cytotoxic assay using 3-[4,5-dimethylthiazol-2-yl]-2,5-diphenyltetrazolium bromide (MTT) method. The compound was extracted from Celebrex®. Measured by using UV spectrophotometric method at 255.5 nm, it was identified that the content of celecoxib was 102.15 mg/271.48 mg capsule content. The in silico test indicated that celecoxib is a potent ligand for ERα. This finding was confirmed experimentally by an in vitro test that celecoxib has a comparable activity as an ERα ligand to tamoxifen, a drug of choice for breast cancer treatment.

Retrospective Validation of a Structure-Based Virtual Screening Protocol to Identify Ligands for Estrogen Receptor Alpha and Its Application to Identify the Alpha-Mangostin Binding Pose Agustina Setiawati; Florentinus Dika Octa Riswanto; Sri Hartati Yuliani; Enade Perdana Istyastono
Indonesian Journal of Chemistry Vol 14, No 2 (2014)
Publisher : Universitas Gadjah Mada

The publicly available enhanced data of ligands and decoys for estrogen receptor alpha (ERα) which were recently published has made the retrospective validation of a structure-based virtual screening (SBVS) protocol to identify ligands for ERα possible. In this article, we present the retrospective validation of an SBVS protocol using PLANTS molecular docking software version 1.2 (PLANTS1.2) as the backbone software. The protocol shows better enrichment factor at 1% false positives (EF1%) value and the Area Under Curve (AUC) value of the Receiver Operator Characteristic (ROC) compared to the original published protocol. Moreover, in all 1000 iterative attempts the protocol could reproduce the co-crystal pose of 4-hydroxitamoxifen in ERα binding pocket. It shows that the protocol is not only able to identify potent ligands for ERα but also able to be employed in examining binding pose of known ligand. Thence, the protocol was successfully employed to examine the binding poses of α-mangostin, an ERα ligand found in the Garcinia mangostana, L. pericarp.

PyPLIF-ASSISTED REDOCKING INDOMETHACIN-(R)-ALPHA-ETHYL-ETHANOLAMIDE INTO CYCLOOXYGENASE-1 Muhammad Radifar; Nunung Yuniarti; Enade Perdana Istyastono
Indonesian Journal of Chemistry Vol 13, No 3 (2013)
Publisher : Universitas Gadjah Mada

Identification of Protein-Ligand Interaction Fingerprints (PLIF) has been performed as the rescoring strategy to identify the best pose for the docked poses of indomethacin-(R)-α-ethyl-etanolamide (IMM) in the binding site of cyclooxygenase-1 (COX-1) from simulations using PLANTS molecular docking software version 1.2 (PLANTS1.2). Instead of using the scoring functions included in the docking software, the strategy presented in this article used external software called PyPLIF that could identify the interactions of the ligand to the amino acid residues in the binding pocket and presents them as binary bitstrings, which subsequently were compared to the interaction bitstrings of the co-crystal ligand pose. The results show that PyPLIF-assisted redocking strategy could select the correct pose much better compared to the pose selection without rescoring. Out of 1000 iterative attempts, PyPLIF-assisted redocking simulations could identify 971 correct poses (more than 95%), while the redocking simulations without PyPLIF could only identify 500 correct poses (50%).These works have also provided us with the initial step of the construction of a valid Structure-Based Virtual Screening (SBVS) protocol to identify COX-1 inhibitors.

Co-Authors ., Jumina Abdul Mutholib Aditya Asyhar Agnes Mutiara Kurniawan Agnes Nora Iska Harnita Agnes Nora Iska Harnita Agung Endro Nugroho Agustina Setiawati Akhmad Darmawan Andreas Asdi Utama ARGUN WIDARSA ARIEF NURROCHMAD As'ari Nawawi Berlina, Violita Yessi Bonifacius Ivan Wiranata Bonifacius Ivan Wiranata Bonifacius Ivan Wiranata Chrisanti, Marcella Widya Chrisologus Ivan Prasetyo David Chandra Putra Dewi Setyaningsih Dina Christin Ayuning Putri Dita Maria Virginia Eko Yuliyanto Eko Yuliyanto, Eko Esti Mumpuni Evy Fenny Veronica Fajar Agung Dwi Hartanto Fajar Ira Juwita Farach Khanifah Felicia Felicia Felicia Fraulein Setiawan Fitria Fatichatul Hidayah Fitria Fatichatul Hidayah Fitria Fatichatul Hidayah Florentinus D.O. Riswanto Florentinus Dika Octa Riswanto Florentinus Dika Octa Riswanto Florentinus Dika Octa Riswanto Florentinus Dika Octa Riswanto Fransiscus Deddy Riandono Fransiska Kurniawan Gani, Michael Gatot Nugroho Susanto Gerry Nugraha Glory Ivana Ardine Harno Dwi Pranowo Harno Dwi Pranowo Harno Dwi Pranowo Herluin Sekar Krisantia I Gusti Ayu Intan Puspita Dewi Ignasius Widya Parahita Putranto Ignatius Yulius Kristio Budiasmoro Iqmal Tahir Iwan J. P. de Esch Jeffry Julianus Julyus Jason Mark Jutti Levita Liana Roh Widiyani Liliana Liliana Lukman Hakim Marchaban Marchaban Marchaban Marchaban Marchaban Marchaban Maria Ludya Pulung Maywan Hariono Maywan Hariono Michael Raharja Gani Michael Raharja Gani Michael Raharja Gani Michael Resta Surya Yanuar Muhamad Hanafi MUHAMMAD RADIFAR Muhammad Radifar Muhammad Radifar Muhammad Radifar Natalia Kristina Nugraha, Gerry Nunung Priyatni Nunung Yuniarti Nunung Yuniarti Nunung Yuniarti Nunung Yuniarti Nunung Yuniarti Nunung Yuniarti Nunung Yuniarti Octa Riswanto , Florentinus Dika OISAN OISAN Oka, Mitsue Perdana Adhi Nugroho Pramono, Zita Dhirani Primana, Mala Hikmawan Pudjono Pudjono Radite Yogaswara Rekso, Putri Ayu Dharmo reza eka putra Riandono, Fransiscus Deddy Rini Dwiastuti Rizna Triana Dewi Roy Gunawan Wicaksono Rr. Sri Untari Siwi S.M.P Sardjiman Sardjiman Slamet Ibrahim - Sri Hartati Yuliani Sri Noegrohati Sri Noegrohati St. Layli Prasojo Stefanus Layli Prasojo Stephanus Satria Wira Waskitha Sudibyo Martono Sudibyo Martono Sudibyo Martono Sudibyo Martono Sudibyo Martono Supardjan . Supardjan . Supardjan A. Margono Supardjan A. Margono Supardjan A.M Supardjan A.M. Supardjan AM Tasia Amelia Titien Siwi Hartayu Umar Anggara Jenie Vivitri Dewi Prasasty Waskitha, Stephanus Satria Wira Widayati, Aris Windah, Axl Laurens Lukas Wira Waskitha, Stephanus Satria Wiranata, Bonifacius Ivan YANTI SUSILAWATI Yohanes Eko Adi Prasetyanto Yosef Wijoyo Yosef Wijoyo Yosef Wijoyo, Yosef Yosi Bayu Murti Yulia Anita YUMI RAHMADANI Yuniarti, Nunung Zullies Ikawati Zullies Ikawati

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