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Synthesis of a potential angiogenesis inhibitor compound: 2-benzylidene cyclohexane-1,3-dione Istyastono, Enade
INDONESIAN JOURNAL OF PHARMACY Vol 20 No 1, 2009
Publisher : Faculty of Pharmacy Universitas Gadjah Mada, Yogyakarta, Skip Utara, 55281, Indonesia

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.14499/indonesianjpharm0iss0pp1-8

Abstract

Synthesis of an aromatic cyclic enadione, 2-benzylidene-cyclohexane-1,3-dione (a potential angiogenesis inhibitor), has been done using benzaldehide (50 mmole) and cyclohexane-1,3-dione (50 mmole) as starting materials and NaOH 1.0 N as a catalyst. Odorless and white needle-shape powder has been achieved. The powder was 252.7 mg (2.53 %) and the purity of the powder was 88.81 %. Its melting point was 214.8 oC. The purity of the product was examined by gas chromatography, while the structure elucidation was done using IR spectrometer, 1H-NMR spectrometer, and GC-MS.IR spectrometer showed that the compound had a -C=O bond conjugated to an alkene or a phenyl moiety, methylen groups, and alkene’s -C–H bonds. 1H-NMR spectrometer showed that the compound had benzene moiety and methylen moieties, which were in α and β position to a carbonyl group. GC-MS showed that the molecular weight of the compound was 200 atomic mass unit.Key words: Angiogenesis inhibitor, synthesis, 2-benzylidene-cyclohexane-1,3-dione.
Computer-aided Design of Chalcone Derivatives as Lead Compounds Targeting Acetylcholinesterase Riswanto, Florentinus D. Octa; Hariono, Maywan; Yuliani, Sri Hartati; Istyastono, Enade Perdana
INDONESIAN JOURNAL OF PHARMACY Vol 28 No 2, 2017
Publisher : Faculty of Pharmacy Universitas Gadjah Mada, Yogyakarta, Skip Utara, 55281, Indonesia

Show Abstract | Download Original | Original Source | Check in Google Scholar | Full PDF (897.108 KB) | DOI: 10.14499/indonesianjpharm28iss2pp100

Abstract

One of well-established biological activities for chalcone derivatives is as acetylcholinesterase inhibitors, which can be developed for the therapy of Alzheimer’s disease. Assisted byretrospectively validated structure-based virtual screening (SBVS) protocol to identify potent acetylcholinesterase inhibitors, 80chalcone derivatives were designed and virtually screened. The F-measure value as the parameter of the predictive ability of the SBVS protocol developed in the research presented in this article was 0.413, which was considerably better than the original SBVS protocol (F-measure = 0.226). Among the screened chalcone derivatives two were selected as potential lead compounds to designpotent inhibitors for acetylcholinesterase: 3-[4-(benzyloxy)-3-methoxyphenyl]-1-(4-hydroxy-3-methoxyphenyl)prop-2-en-1-one(3k) and 3-[4-(benzyloxy)-3-methoxyphenyl]-1-(4-hydroxyphenyl)prop-2-en-1-one (4k).
Pembuatan Protokol Penapisan Virtual Berbasis Stuktur (pvbs) untuk Identifikasi Ligan Inhibitor Reseptor Platelet-Activating Factor (PAF-r) sebagai Target Terapeutik Asma menggunakan YASARA Nugraha, Gerry; Istyastono, Enade Perdana
Jurnal Riset Kimia Vol 11, No 1 (2020): March
Publisher : Universitas Andalas

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.25077/jrk.v11i1.346

Abstract

Platelet-activating factor receptors (PAF-r) is known as one of the receptors that affect asthma, while the Y-21480 ligand is reported as an effective, specific, and active PAF-r antagonist for asthma patients. Research in building structure-based virtual screening protocol (SBVS) for identification of PAF-r ligand inhibitors has been performed, the receptor crystal structure was obtained from the Protein Data Bank (PDB ID: 5zkp), while the ligand used as a leading compound is Y-24180, obtained from U.S. National Library of Medicine. Interactions between ligands and receptors are observed through molecular dynamics simulations using the YASARA program at intervals up to 20 nanoseconds, ligand-receptor binding stability occurs after a time interval of 2 nanoseconds, the lowest ligand-receptor binding energy occurs at a time interval of 1,401 picoseconds. Internal validation by re-docking 1,000 times the ligand to receptor resulted in a value of Root Mean Square Deviation (RMSD) of 0.6037 Å,  confirmed that SBVS protocol was accurately able to reproduce the Y-24180 ligand pose on the 5zkp crystal structure,  the protocol can be used as a new approach for investigation or design of compounds that have therapeutic potential as anti-asthma.
OPTIMIZING STRUCTURE-BASED VIRTUAL SCREENING PROTOCOL TO IDENTIFY PHYTOCHEMICALS AS CYCLOOXYGENASE-2 INHIBITORS Istyastono, Enade Perdana
Indonesian Journal of Pharmacy Vol 27 No 3, 2016
Publisher : Faculty of Pharmacy Universitas Gadjah Mada, Yogyakarta, Skip Utara, 55281, Indonesia

Show Abstract | Download Original | Original Source | Check in Google Scholar | Full PDF (962.425 KB) | DOI: 10.14499/indonesianjpharm27iss3pp163

Abstract

By employing Databases of Useful Decoys (DUD) and its enhanced version (DUD-E), several attempts to construct validated Structure-based Virtual Screening (SBVS) protocols to identify cyclooxygenase-2 (COX-2) inhibitors have been performed. Both databases tagged active COX-2 inhibitors for compounds with IC50 values < 1mM. In the search for phytochemicals as natural COX-2 inhibitors, however, most of their IC50 values are in the micromolar range, which will likely be identified as non-inhibitors for COX-2 by the available SBVS protocols. In this article, validation of an SBVS protocol by adding marginal active COX-2 inhibitors from DUD-E as active compounds is presented. Binary quantitative-structure activity relationship analysis by using recursive partition and regression tree method was performed subsequently to optimize the predictive ability of the protocol. The enrichment factor and the F-measure values of the optimized protocol could reach 44.78 and 0.47, respectively. The optimized protocol could identify 1 out of 9 phytochemicals as COX-2 inhibitors.
PREPARATION OF REFLECTIVE PEDAGOGY PARADIGM LEARNING FOR THE LECTURERS BASED ON COMPUTATIONAL CHEMISTRY Yuliyanto, Eko; Hidayah, Fitria Fatichatul; Istyastono, Enade Perdana; Wijoyo, Yosef; Hartayu, Titien Siwi
Unnes Science Education Journal Vol 8 No 2 (2019): July 2019
Publisher : Department of Integrated Science, Faculty of Mathematics and Natural Sciences, Universitas Negeri Semarang in Collaboration with Perkumpulan Pendidikan IPA Indonesia

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.15294/usej.v8i2.31270

Abstract

The study aims to prepare lecturers on reflective pedagogy paradigm (RPP). This research was a mixed method. It was conducted with nine students and a model lecturer (mantee) who underwent mentoring. It was held in 4 meetings and observed by two observers. The assessment was conducted using data triangulation to a model lecturer based on video recording, reflection by mantee and students. The measure of process success was based on video recordings by ≥70%. The lecturer’s reflection to demonstrate the readiness in the teaching, and the student’s reflection is ≥ 60%. The results of mantee and student at every stage are: 81%, 69%, 88%, and 50%; 72%, 92%, 73%, and 85% of context, experience, reflection, and action. The results of the evaluation there was a significant difference before and after the learning based on RPP (p = 0.035). So, mentees was able to manage RPP and able to make students active to learn from theory to practice.
UJI IN SILICO SENYAWA 2,6-DIHIDROKSIANTRAQUINON SEBAGAI LIGAN PADA RESEPTOR ESTROGEN ALFA Felicia Fraulein Setiawan; Enade Perdana Istyastono
Jurnal Farmasi Sains dan Komunitas (Journal of Pharmaceutical Sciences and Community) Vol 12, No 2 (2015)
Publisher : Sanata Dharma University

Show Abstract | Download Original | Original Source | Check in Google Scholar | Full PDF (435.388 KB) | DOI: 10.24071/jpsc.00137

Abstract

Previous studies has shown that estrogen receptor alpha that binds to estrogen may increase cancer cell proliferation, thus estrogen receptor alpha can be targeted to cure breast cancer. The aim of this in silico study is to test whether phytoestrogen 2,6-dihydroxyanthraquinone is a ligand of estrogen receptor alpha. Setiawati et al. (2014) has established a valid protocol for Structure Based Virtual Screening using molecular docking software PLANTS 1.2. This protocol is used to test 2,6-dihydroxyanthraquinone as ligand for estrogen receptor alpha. Output from the protocol is analyzed using a post-docking analysis method developed by Istyastono (2015) in R 3.0.2. Visualization of binding pose is generated with PyMOL 1.2. Results show that 2,6-dihydroxyanthraquinone cannot be identified as a ligand of estrogen receptor alpha. The method used in this study is not suitable to identify 2,6-dihydroxyanthraquinone, which is a marginal active substance, as active ligand. Further study to develop a suitable method to identify marginal active substances as ligands in estrogen receptor alpha is needed.
UJI IN SILICO SENYAWA EMODIN SEBAGAI LIGAN PADA RESEPTOR ESTROGEN ALFA Liliana Liliana; Enade Perdana Istyastono
Jurnal Farmasi Sains dan Komunitas (Journal of Pharmaceutical Sciences and Community) Vol 12, No 2 (2015)
Publisher : Sanata Dharma University

Show Abstract | Download Original | Original Source | Check in Google Scholar | Full PDF (492.884 KB) | DOI: 10.24071/jpsc.00132

Abstract

Breast cancer is a disease with abnormal cell proliferation at breast tissue that can invade the surrounding tissue and spread to another organ. Based on WHO (2014) at 2012, there are 48,998 breast cancer cases on women in Indonesia with 19,730 death cases. In breast cancer, overexpression estrogen receptor alpha (ER-?) usually observed. Hence ER-? became the focus of prevention and therapy for breast cancer. In vitro study of emodin shows IC50 2.7 M and Ki 0.77 M on ER-?. In silico research using docking protocol and post docking analysis protocol shown that emodin was not an active ligand on ER-?. The outcome shown as ChemPLP score with average -75.292 and PLIF bitstring. Emodin binds with LEU346, LEU387, and ARG394 residue. Currently, the protocol that used in this research has yet identified marginal compound like emodin as an active ligand on ER-?.
ANALISIS KUANTITATIF ISOFLAVON TEMPE SECARA CEPAT DAN SEDERHANA MENGGUNAKAN METODE KROMATOGRAFI LAPIS TIPIS- DENSITOMETRI Agustina Setiawati; Sri Hartati Yuliani; Enade Perdana Istyastono; Michael Raharja Gani; Evy Fenny Veronica; Dina Christin Ayuning Putri; Reza Eka Putra; David Chandra Putra; Agnes Mutiara Kurniawan
Jurnal Farmasi Sains dan Komunitas (Journal of Pharmaceutical Sciences and Community) Vol 11, No 1 (2014)
Publisher : Sanata Dharma University

Show Abstract | Download Original | Original Source | Check in Google Scholar | Full PDF (604.056 KB) | DOI: 10.24071/jpsc.0080

Abstract

Rapid and simple quantitative analysis isoflavones tempe using densitometric TLChas been done. The mobile phase of the system was chloroform: methanol: ethylacetate (45: 5:0.75). Thin layer chromatography was performed on aluminium TLC plates.Ascending distanceof 1 ?L sample was performanced 10 cm. Then the plate was scanned at 261 nm. A linearrelationship obtained at 0.08 - 2 ?g/spot with r= 0.9986. The LOD and LOQ of isoflavone were0.014 ?g/spot and 0.048 ?g/spot. Genistein contained in tempe was 0.151 0.005 % b/b.
EKSPLORASI SIFAT FISIKOKIMIA 2-BENZILIDEN-SIKLOHEKSANA-1,3- DION BERDASAR PERHITUNGAN KIMIA KUANTUM SEMIEMPIRIK Enade Perdana Istyastono
Jurnal Ilmiah Farmasi Vol. 3 No. 1 (2006)
Publisher : Universitas Islam Indonesia

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Abstract

ABSTRACTAromatic cyclic endione has been predicted qualitatively as anticancer agent. 2-Benzylidenecylclohexane-1,3-dione is the simplest aromatic cyclic endione compound. Physicochemistryproperties of 2-benzylidene-cylclohexane-1,3-dione have been explored. The properties wereexplored by semiempirical quantum-chemical calculations using the computational chemistryapproach. Vibrations spectrum of 2-benzylidene-cylclohexane-1,3-dione has been used todetermine the best semiempirical method. The AM1 semiempirical method was found to be themost appropriate method to describe the structure of 2-benzylidene-cylclohexane-1,3-dione andexplore the physicochemistry properties.Keywords : anticancer, physicochemistry, semiempirical quantum-chemical calculation, 2-benzylidene-cylclohexane-1,3-dione.
Reflective Pedagogy: Case Study of Organic Chemistry at the University of Muhammadiyah Semarang Eko Yuliyanto; Fitria Fatichatul Hidayah; Enade Perdana Istyastono; Yosef Wijoyo; Titien Siwi Hartayu
PROSIDING SEMINAR NASIONAL & INTERNASIONAL 2017: Proceeding 3rd ISET 2017 | International Seminar on Educational Technology 3rd 2017
Publisher : Universitas Muhammadiyah Semarang

Show Abstract | Download Original | Original Source | Check in Google Scholar | Full PDF (667.045 KB)

Abstract

The development of the modern age is a lot of changes in education is the paradigm of teacher-centered learninginto student-centered learning which has a very important role in maximizing its competence in classroom management. One of the lessons in chemistry education that has problems is organic chemistry courses. Based onthe reflections applied to teachers and students "What has been gained from the learning process?", "What is thevalue obtained while the process is underway?" And "What will be done next (implementation)?". The results arestill very unsatisfactory, this is due to the limited ability of lecturers in the learning process. Associated with these conditions, then of course required intensive changes and planned for comprehensive improvement associated with the input to be generated. Efforts to be made is to improve the paradigm of learning. The selected learning paradigm is Reflective Pedagogy Paradigm (PPR). Reflective Pedagogy Paradigm was chosen because based on the results of research can improve the performance of lecturers in teaching, improve the readiness of lecturers in teaching, and make students able to reflect the learning process, and students become more active. The research was conducted following a workshop with lecturers who have implemented Reflective Pedagogy at Sanata Dharma University Yogyakarta. Stages in Reflective Pedagogy are context, experience, reflection, action and evaluation. It is expected by the end of two meetings. To be able to apply PPR, a lecturer needs to be equipped with special training on PPR-based teaching strategies as well asreflection skills (ICAJE, 1993, Gwaza et al., 2010; Schaub-de Jong dkk.2011; Wijoyo et al., 2016). Based on the results of the teacher reflection, it is increasingly realized that the preparation of learningis very important, and it is realized. While based on the results of reflection students stated that the purpose oflearning is clear, the material relevant to the profession of students, and understanding of the material becomeseasier, and the moral values for students. This case study is also in line with previous research that John Dewey(1933), He argued that learning from experience is enriched by reflecting on experience and Donald A. Schön (1987) theorized that reflective practice represents an important factor to improve professional activity. Jack Mezirow, (1991, 2000) gives reflection a central role in learning because through it we become aware of the ways in which we interpret reality and give meaning to actions and behavior. Writing-to-learn tasks should encourage students to conceptualize writing in a way that emphasizes exploration, expressive inquiry, discovery, problem-solving, decision making and knowledge construction.Key Word: Reflective Pedagogy Paradigm, case study, Organic Subject