Claim Missing Document
Check
Articles

Found 13 Documents
Search

CONSTRUCTION AND RETROSPECTIVE VALIDATION OF STRUCTURE-BASED VIRTUAL SCREENING PROTOCOLS TO IDENTIFY POTENT LIGANDS FOR HUMAN ADRENERGIC BETA-2 RECEPTOR Istyastono, Enade Perdana; Setyaningsih, Dewi
Indonesian Journal of Pharmacy Vol 26 No 1, 2015
Publisher : Faculty of Pharmacy Universitas Gadjah Mada, Yogyakarta, Skip Utara, 55281, Indonesia

Show Abstract | Download Original | Original Source | Check in Google Scholar | Full PDF (717.965 KB) | DOI: 10.14499/indonesianjpharm26iss1pp20

Abstract

Adrenergic Beta-2 Receptor (ADRB2) is a member of G-protein coupled receptors family, which has served as targets for more than 30% of top-selling drugs in the market. Recently, an enhanced dataset of ligands and decoys for ADRB2 has publicly available. However, the original retrospective structure-based virtual screening campaign accompanying the dataset showed relatively poor quality with enrichment factor of true positives at 1% false positives (EF1%)value of 3.9. In this article, the construction and retrospective validation of a structure-based virtual screening protocol by employing PLANTS1.2 as the molecular docking software and PyPLIF as an alternative post docking scoring functions are presented. The results show that the developed protocols have better quality compared the original structure-based virtual screening with EF1% values of 24.24 and 8.22 by using ChemPLP from PLANTS1.2 and by using Tc-PLIF from PyPLIF, respectively. Further investigation by performing systematic filtering resulted in the identification of D113, S203, and N293 as molecular determinants in ADRB2-ligand binding.Key words: Structure-based virtual screening, molecular docking, adrenergic beta-2 receptor, protein-ligand interaction fingerprinting, molecular determinants
THE EFFECTIVENESS OF CLOPIDOGREL AS AN ANTITHROMBOTIC COMPARED TO TICLOPIDINE AND ASPIRIN (META-ANALYSIS) Titien Siwi Hartayu; Dewi Setyaningsih
Jurnal Farmasi Sains dan Komunitas (Journal of Pharmaceutical Sciences and Community) Vol 14, No 1 (2017)
Publisher : Sanata Dharma University

Show Abstract | Download Original | Original Source | Check in Google Scholar | Full PDF (422.247 KB) | DOI: 10.24071/jpsc.00565

Abstract

Clopidogrel, an antithrombotic drug, has been proven by FDA as Plavix was initially used for the prevention of vascular occlusive that cause of myocardial infarction, stroke, and vascular death in patients with atherosclerosis and then it is used to treat Acute Coronary Syndrome (ACS). Aim of the study is to compare the effectiveness of Clopidogrel to aspirin and ticlopidine by meta-analysis of CLASSICS (The Clopidogrel Aspirin Stent International Cooperative Study), MATCH trial dan CAPRIE trial. Results of the study show that the effectiveness of Clopidogrel is significantly higher, however the risk of ischemic and bleeding is lower than aspirin and ticlopidine. Cost-effectiveness of Clopidogrel in avoiding secondary stroke in one episode is approximately US $ 33,000, and aspirin is only US $ 1400. In Indonesia the price of Clopidogrel is ranged from US $1.5 to US $3 each tablet, while the price of aspirin ranged from US $ 0.35 to US $ 0.72. However, in Indonesia Clopidogrel is now in the list of National Formulary, this fact might have contributed to the increasing use of Clopidogrel, which has reached around 1000 tablets per day in each hospital while aspirin has reached almost 1500 tablets per day.
In Silico Study of Thioguanine Derivatives as Hemopexin Matrix Metalloproteinase9 (PEX-9) Inhibitors Kevin Cahaya Putra; Ervan Setyo Nugroho; Yohanes Krisna Wisnumurti; Sangga Putra Dewa; Benedictus Wisnu Putra Jati; Reynaldo Tiara; Dewi Setyaningsih; Maywan Hariono
Indonesian Journal of Pharmaceutical Science and Technology Suppl. 2, No. 2 (2019)
Publisher : Indonesian Journal of Pharmaceutical Science and Technology

Show Abstract | Download Original | Original Source | Check in Google Scholar | Full PDF (788.495 KB) | DOI: 10.24198/ijpst.v1i2.20195

Abstract

Matrix Metalloproteinase (MMP) was broadly studied as one of the protein targets in stopping angiogenesis. The most common target in MMP, i.e., the catalytic site, is reported as being the non-selective target for inhibition amongst all MMPs, but its inhibition is associated with adverse side effects. Hemopexin in MMP9 (PEX9) was found to be different to the other domains in the MMP family, which could be the next target for anticancer due to the availability of its crystal structure in the protein data bank (pdb). In this study, we design the analogues of a compound from the ZINC database bearing a pyrimidinone scaffold which previously showed activity as a PEX9 inhibitor using molecular docking. The docking is carried out using Autodock 4.0 with parameters such as 250 run and lammarckian genetic algorithm. The result shows that six designed compounds have a free energy of binding from -7.0 to -11.0 kcal/mol. The important amino acid residues which are involved in the hydrogen bond interaction are ARG106, GLU60, GLU14, and GLN154. In conclusion, the six design compounds could give an insight mechanism to inhibit the PEX-9 activity in silico.Keywords: Docking, Hemopexin, MMP9, PEX9, Thioguanine
Kemangi (Ocimum basilicum L.): Kandungan Kimia, Teknik Ekstraksi, dan Uji Aktivitas Antibakteri Adithya Guntur; Monica Selena; Anastasia Bella; Giovanny Leonarda; Adelsiana Leda; Dewi Setyaningsih; Florentinus Dika Octa Riswanto
Journal of Food and Pharmaceutical Sciences Vol 9, No 3 (2021): J.Food.Pharm.Sci
Publisher : Institute for Halal Industry and System (IHIS) Universitas Gadjah Mada

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.22146/jfps.3376

Abstract

Resistensi terhadap beberapa antibiotik disebabkan oleh adanya penggunaan antibiotik yang rasional masih sering diabaikan. Kemangi (Ocimum basilicum L.) merupakan salah satu tanaman yang memiliki aktivitas antibakteri. Salah satu kandungan kemangi yang diduga memiliki aktivitas antibakteri yaitu minyak atsiri. Penelitian terkait aktivitas antibakteri pada kemangi sebagian besar dilakukan dengan menggunakan sampel segar maupun simplisia dari daun kemangi yang kemudian diekstraksi, namun ada beberapa uji yang menggunakan bagian batang. Metode uji aktivitas antibakteri kemangi terhadap beberapa bakteri gram positif dan gram negatif dilakukan dengan metode difusi cakram agar, difusi cakram kertas, mikrodilusi broth, mikrodilusi dalam microtiter plates, difusi sumuran agar, dan macro-dilusi. Hasil uji aktivitas antibakteri menunjukkan bahwa kandungan minyak atsiri yang terdapat dalam kemangi memiliki aktivitas penghambat aktivitas bakteri.
Review: Pemanfaatan Teknik Kemometrika Pengenalan Pola Pada Analisis Kuantitatif Senyawa Obat Kombinasi Tanpa Tahap Pemisahan Paulina Nadya Feranti Pebby Lorenza; Angelina Kinsha Pandhita; Desy Natalia Rambu Padji Mahemba; Arya Pratama Nugraha Pede; Theodora Dominika Gadi Seran; Dewi Setyaningsih; Florentinus Dika Octa Riswanto
MPI (Media Pharmaceutica Indonesiana) Vol. 3 No. 4 (2021): DECEMBER
Publisher : Fakultas Farmasi, Universitas Surabaya

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.24123/mpi.v3i4.4719

Abstract

Penjaminan mutu produk obat kombinasi salah satunya dilakukan melalui analisis kuantitatif. Teknik kemometrika menjadi salah satu alternatif pilihan pengenalan pola pada analisis kuantitatif senyawa obat kombinasi tanpa tahap pemisahan yang mudah diterapkan, sensitif, dan cukup terjangkau. Keunggulan teknik kemometrika seperti ini telah dibuktikan pada berbagai penelitian yang relevan. Tujuan artikel review ini adalah untuk mengetahui lebih lanjut pemanfaatan teknik kemometrika pengenalan pola pada analisis kuantitatif senyawa obat kombinasi tanpa tahap pemisahan. Penyusunan artikel review ini menggunakan metode penelusuran literatur ilmiah primer terbitan sepuluh tahun terakhir pada rentang 2011 hingga 2021. Hasilnya menunjukkan bahwa teknik kemometrika yang paling banyak diaplikasikan adalah PLS 78,95% dengan instrumen tanpa tahap pemisahan yang paling banyak digunakan sebagai kombinasinya adalah spektrofotometer UV-Vis 84,21%. Selain itu, campuran obat dari dua senyawa 71,05% pada berbagai golongan obat menjadi jumlah campuran yang paling banyak dianalisa dengan kombinasi teknik kemometrika dan instrumen analisis.
CONSTRUCTION OF IN SILICO STRUCTURE-BASED SCREENING TOOLS TO STUDY THE OXIDATIVE METABOLITES FORMATION OF CURCUMIN BY HUMAN CYTOCHROME 450 3A4 Dewi Setyaningsih; Muhammad Radifar; Yosi Bayu Murti; Enade Perdana Istyastono
Indonesian Journal of Pharmacy Vol 24 No 2, 2013
Publisher : Faculty of Pharmacy Universitas Gadjah Mada, Yogyakarta, Skip Utara, 55281, Indonesia

Show Abstract | Download Original | Original Source | Check in Google Scholar | Full PDF (426.033 KB) | DOI: 10.14499/indonesianjpharm24iss2pp75-85

Abstract

Cytochrome P450 3A4 (CYP3A4) is a phase 1 metabolism enzyme which is responsible for the metabolism of about 3040% drug in the market. This CYP3A4 is the most abundant CYP450 expressed in human body and also the one who is responsible for the biotransformation of most drugs. The competitive inhibition of curcumin (a yellow bioactive pigment discovered in Curcuma sp.) towards human CYP3A4 indicates that curcumin can be a substrate for the enzyme. In this study, in silico approaches employing molecular docking and interaction fingerprinting were used to predict the binding mode and the site of metabolism (SOM) of curcumin. Together with the SOMs retrieved previously and the list of possible reactions catalyzed by CYP3A4, the docking and fingerprinting results indicate that the most probable metabolite of curcumin metabolism by human CYP3A4 is an oxidative metabolite 1-(3,4-dihydroxyphenyl)-5hydroxy-7-(4-hydroxy-3-methoxy-phenyl)hepta-1,4,6-trien-3one.Key words: site of metabolism (SOM), curcumin, biotransformation, in silico, molecular docking, protein-ligand interaction fingerprinting
Validasi Metode Kromatografi Lapis Tipis untuk Penentuan Konsentrasi Kurkumin dalam Sampel Disolusi yang Mengandung Ektrak Curcuma longa DEWI SETYANINGSIH; YOSI BAYU MURTI; ACHMAD FUDHOLI; WOUTER L.J. HINRICHS; ROCHMAT MUDJAHID; SUDIBYO MARTONO; TRIANA HERTIANI
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 (2442.66 KB)

Abstract

Curcumin is a lipophilic compound which suffers from the poor bioavailability after oral administration. Increasing its dissolution rate can be a successful strategy to improve the bioavailability. Along with the formulation developments, a rapid and simple analytical method to determine curcumin concentrations in the dissolution medium is required. The aim of this study was to develop and to validate an analytical method based on thin layer chromatography (TLC) to determine curcumin concentrations in a dissolution medium containing 0.5% w/v sodium lauryl sulfate (SLS) and 20 mM sodium phosphate buffer. A polyvinylpyrrolidone K30 based solid dispersion of Curcuma longa extract and its corresponding physical mixture were dissolved in a medium containing 0.5% w/v SLS and 20 mM sodium phosphate buffer (pH 6.0). Dissolution samples were spotted on a normal TLC plate and eluents of various compositions were evaluated. The retardation factor (Rf), resolution (Rs), and asymmetry factor (As0.05) of the optimized method were determined. Using the optimized eluent, proper separation of curcumin peak was achieved with an Rf of 0.50, Rs of 2.62 and As 0.05of 0.87. Linearity (5-30 μg/mL) was demonstrated by r value of 0.9965. The TLC method provided precision with RSD ≤3.50 and accuracy with recovery value of 94-105%.
Potensi Herba Bandotan (Ageratum conyzoides L.) sebagai Agen Antikanker Payudara Lintang Adelya; Pisga Chrisita Dewi; Zerlinda Clara Auw; Radhita Tyastu Puteri Winengku; Mase Mase; Dewi Setyaningsih; Florentinus Dika Octa Riswanto
Cendekia Journal of Pharmacy Vol 6, No 1 (2022): Cendekia Journal of Pharmacy
Publisher : STIKES Cendekia Utama Kudus

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.31596/cjp.v6i1.153

Abstract

Kanker payudara termasuk dalam kasus yang paling banyak terjadi di Indonesia. Berbagai upaya penanganan kanker telah dilakukan, namun dinilai belum memuaskan mengingat efek samping yang cukup serius. Keragaman hayati mendorong pengujian bahan-bahan alam yang berpotensi sebagai agen antikanker payudara. Bandotan (Ageratum conyzoides L.) secara empiris diketahui memiliki berbagai efek farmakologis termasuk sebagai agen antikanker. Penulisan review artikel ini menggunakan metode studi pustaka. Beberapa hasil penelitian menunjukkan adanya kandungan senyawa fitokimia pada herba bandotan seperti flavonoid, chromene, terpenoid, alkaloid, minyak atsiri, kumarin, sterol, glikosida, tanin dan saponin yang terbukti memiliki aktivitas antikanker. Oleh karena itu, herba bandotan (Ageratum conyzoides L.) diyakini memiliki potensi besar sebagai agen antikanker payudara. Namun masih perlu dilakukan pengujian lebih lanjut secara in vivo maupun in vitro mengenai efektivitas dan keamanan herba bandotan sebagai agen antikanker payudara.
AKTIVITAS BAWANG PUTIH (Allium sativum L.) SEBAGAI AGEN ANTIBAKTERI Debi Kristiananda; Juvita Lisu Allo; Veronica Arien Widyarahma; Lusiana Lusiana; Jeanne Magistra Noverita; Florentinus Dika Octa Riswanto; Dewi Setyaningsih
Jurnal Ilmu Farmasi dan Farmasi Klinik Vol 19, No 1 (2022): Jurnal Ilmu Farmasi & Farmasi Klinik
Publisher : Universitas Wahid Hasyim Semarang

Show Abstract | Download Original | Original Source | Check in Google Scholar | Full PDF (204.356 KB) | DOI: 10.31942/jiffk.v19i1.6683

Abstract

Garlic (Allium sativum L.) has various potentials in overcoming diseases, one of which is as an antibacterial. The purpose of this study was to explore, analyze and review the activity of garlic (Allium sativum L.) as an antibacterial agent. This study uses a literature search method using search sites such as Google Scholar, Pubmed, ScienceDirect, AYU, NCBI, Elsevier, PlosOne, and Google Scholar. by entering keywords such as antibacterial, Garlic, and Allium sativum L. Garlic contains secondary metabolites that function as antibacterial agents such as alkaloids, tannins, saponins, flavonoids, allicin. Garlic has been shown to inhibit the growth of gram-positive and negative bacteria species Escherichia, Salmonella, Staphylococcus, Streptococcus, Klebsiella, Proteus, Bacillus, Clostridium, P. aeruginosa, K. pneumoniae and, Bifidobacterium lactis predominantly using the paper disk and well diffusion method. 
Potensi Daun dan Bunga Telang (Clitoria ternatea L.) sebagai Antioksidan Florentinus Dika Octa Riswanto; Anastasia Melin Fitria Wulandari; Faustina Evania Ngai; Corina Febrianti Isabel; Agatha Kania Ugahari Dyatmika; Filisia Putri Rosari; Dewi Setyaningsih
MEDICINUS Vol 35 No 2 (2022): MEDICINUS
Publisher : PT Dexa Medica

Show Abstract | Download Original | Original Source | Check in Google Scholar | Full PDF (154.205 KB) | DOI: 10.56951/medicinus.v35i2.92

Abstract

Indonesia has various traditional plants that are potential to be used as medicinal agents. The telang plant (Clitoria ternatea L.) has been studied regarding its’ potency as a traditional medicine. The parts of the telang plant that are often used are leaves and flowers. Telang leaves and flowers contain several compounds with antioxidant activity including phenolics, flavonoids, anthocyanins, and tannins. Antioxidant activity can be tested using several methods, e.g. DPPH, ORAC, and FRAP. Based on the results of the literature review, it is known that telang leaves and flowers have antioxidant activity and do not show any potential toxicity, therefore they can be considered as safe to be used.