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QUERCETIN DERIVATIVES DOCKING BASED ON STUDY OF FLAVONOIDS INTERACTION TO CYCLOOXYGENASE-2 Rahmana Emran Kartasasmita; Rina Herowati; Nuraini Harmastuti; Tutus Gusdinar
Indonesian Journal of Chemistry Vol 9, No 2 (2009)
Publisher : Universitas Gadjah Mada

Show Abstract | Download Original | Original Source | Check in Google Scholar | Full PDF (2053.131 KB) | DOI: 10.22146/ijc.21545

Abstract

Due to their ability to inhibit cyclooxygenase-2 (COX-2), certain flavonoids show anti-inflammatory effects. Quercetin is a flavonoid suitable to be chosen as the lead compound for development of safe anti-inflammatory agent, because in addition to its anti-inflammatory effect, quercetin shows also protective effect in gastrointestinal track. The objective of this research is to study the binding modes of certain flavonoids and predict the quercetin derivatives inhibiton activity on COX-2 by means of docking method using ArgusLab 4.0.1 software. Some flavonoids (7-hydroxyflavone, apigenin, galangin, kaempferol, quercetin, naringenin and daidzein) and quercetin derivatives were used as ligands for docking study. The COX-2 structure was obtained from Brookhaven protein databank. After assigning hydrogen atoms and charges, computational docking was performed. The docking results were evaluated based on the binding energy and hydrogen bonding of  the ligands on binding site of COX-2. A curve constructed by plotting binding energy versus logarithm of IC50 of flavonoids shows a good correlation with a regression equation of log IC50 = 0.8069 ΔGbind + 9.4456(r = 0.9226; P50 values of the quercetin derivatives were calculated. The predicted IC50 values of quercetin-3-O-acetate; 6-chloroquercetin,3-O-acetate; 6,8-dibromoquercetin; 6,8-dichloroquercetin-3-O-acetate and 6,8-dibromoquercetin-3-O-acetate are lower than thats of quercetin. These results show that only substitutions at certain position on quercetin with acetyl group, chlorine and bromine atoms increase the inhibitory activity of quercetin against COX-2.
Studi Biokemoinformatika Kandungan Kimia Daun Sambiloto (Andrographis paniculata (Burm.f.) Nees) sebagai Antihiperglikemia serta Prediksi Parameter Farmakokinetik dan Toksisitas Rizky Resvita R. Bahi; Rina Herowati; Nuraini Harmastuti
PHARMACY: Jurnal Farmasi Indonesia (Pharmaceutical Journal of Indonesia) Jurnal Pharmacy, Vol. 17 No. 02 Desember 2020
Publisher : Pharmacy Faculty, Universitas Muhammadiyah Purwokerto

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.30595/pharmacy.v17i2.8944

Abstract

Berdasarkan studi in vitro, in vivo dan uji klinis, sambiloto (Andrographis paniculata (Burm.f.) Nees) terbukti memiliki aktivitas sebagai antihiperglikemia. Namun, mekanisme aksi dan zat aktif yang bertanggung jawab terhadap aktivitas antihiperglikemia dari sambiloto belum diketahui secara pasti. Penelitian ini bertujuan untuk mengetahui interaksi kandungan kimia dari daun sambiloto dengan beberapa target molekuler yang terlibat dalam penyakit diabetes mellitus (DM) serta prediksi parameter farmakokinetik dan toksisitas dari senyawa-senyawa tersebut. Pada penelitian ini sebanyak 14 kandungan kimia daun sambiloto ditambatkan pada 6 target molekuler yaitu aldosa reduktase, α-glukosidase, protein tyrosine phosphatase 1B, peroxisome proliferator-activated receptor gamma, reseptor insulin dan glycogen sintase kinase 3B menggunakan metode docking molekuler yakni Autodock 4.2 yang sebelumnya telah divalidasi. Senyawa kimia dari daun sambiloto yang memiliki interaksi terbaik, selanjutnya diprediksi profil farmakokinetik dan toksisitasnya menggunakan SwissADME dan Toxtree. Berdasarkan hasil docking molekuler dapat diketahui bahwa senyawa yang diprediksi memiliki afinitas pengikatan terbaik dengan target molekuler DM adalah 19-O-asetilanhidroandrografolid, β-sitosterol, neoandrografolid, daukosterol dan asam oleanolat. Hasil prediksi SwissADME menunjukkan bahwa kelima senyawa ini memiliki peluang untuk menjadi obat oral, beberapa diantaranya merupakan substrat Pglikoprotein dan mampu menembus sawar darah otak. Sementara hasil prediksi Toxtree menunjukkan toksisitas yang rendah sampai tinggi dan semua senyawa tidak berpotensi dalam menyebabkan karsinogenisitas baik melalui mekanisme genotoksik maupun non genotoksik.
Analisis Penambatan Molekul Kandungan Kimia Tanaman Kelor (Moringa oleifera Lam.) Terhadap Target Molekuler Terapi Penyakit Kardiovaskular Rina Herowati; Endang Sri Rejeki; Jausi Jannah; Nuraini Harmastuti
PHARMACY: Jurnal Farmasi Indonesia (Pharmaceutical Journal of Indonesia) Jurnal Pharmacy, Vol. 17 No. 02 Desember 2020
Publisher : Pharmacy Faculty, Universitas Muhammadiyah Purwokerto

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.30595/pharmacy.v17i2.8689

Abstract

Daun kelor (Moringa oleifera Lam.) secara empiris maupun berdasarkan hasil penelitian ilmiah terbukti memiliki efek terhadap beberapa penyakit kardiovaskular. Namun masih diperlukan penjelasan mengenai mekanisme kerja serta senyawa apa yang berpotensi aktif untuk pengobatan penyakit kardiovaskular. Penelitian ini bertujuan untuk mengetahui kandungan kimia dalam daun kelor yang diprediksi aktif terhadap protein target untuk terapi penyakit kardiovaskular secara in silico dengan metode analisis penambatan molekul. Prediksi protein target dilakukan dengan menggunakan webserver SwissTargetPrediction, SEA Search Server, dan SuperPrediction. Pemodelan interaksi senyawa dari daun kelor terhadap protein target hasil prediksi dilakukan dengan analisis penambatan molekul menggunakan perangkat lunak Autodock Vina yang kemudian divisualisasikan menggunakan Protein-Ligand Interaction Profiler (PLIP). Parameter yang diamati adalah energi bebas ikatan (ΔGbinding) dan kesesuaian residu asam amino yang terlibat dalam interaksi. Hasil skrining protein target menunjukkan bahwa senyawa-senyawa kimia dalam daun kelor diprediksi akan berinteraksi dengan Angiotensin-Converting Enzyme (ACE), 3-hydroxy-3-methylglutaryl Coenzyme A Reductase (HMGCR), reseptor β1-adrenergik, thrombin (faktor II), dan reseptor aldosteron. Berdasarkan hasil analisis Penambatan molekul, senyawa N-ɑ-L-rhamnopyranosyl vincosamide diprediksi memiliki afinitas terbaik terhadap enzim HMGCR, trombin, dan reseptor aldosteron dengan nilai ΔGbinding berturut-turut -11,1; -9,2; dan -11,2 kkal/mol. Kuersetin diprediksi memiliki afinitas terbaik terhadap reseptor aldosteron dengan nilai ΔGbinding -8,7 kkal/mol. Daucosterol diprediksi memiliki model interaksi paling sesuai dengan ligan asli terhadap HMGCR  dan trombin, sedangkan N-ɑ-L-rhamnopyranosyl vincosamide terhadap reseptor aldosteron.
OBAT DAN SUPLEMEN UNTUK OSTEOARTHRITIS Rina Herowati
PHARMACY: Jurnal Farmasi Indonesia (Pharmaceutical Journal of Indonesia) Jurnal Pharmacy, Vol. 11 No. 01 Juli 2014
Publisher : Pharmacy Faculty, Universitas Muhammadiyah Purwokerto

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.30595/pji.v11i1.849

Abstract

ABSTRAK Osteoarthritis (OA) merupakan salah satu penyebab ketidakmampuan beraktivitas pada geriatri. Tujuan terapi OA adalah untuk mengontrol gejala, meminimalkan ketidakmampuan, dan meningkatkan kualitas hidup. Tata laksana OA meliputi terapi non farmakologi, terapi farmakologi, dan pembedahan. Terapi farmakologi lebih lanjut dibagi lagi menjadi terapi simptomatik dan terapi pemodifikasi penyakit. Asetaminofen merupakan terapi lini pertama, digunakan dengan mempertimbangkan resiko toksisitas saluran cerna dan kardiovaskuler, terutama pada geriatri. Injeksi glukokortikoid maupun asam hialurodonat intra-articular memberikan efek jangka pendek yang menguntungkan. Saat ini riset masih terus dilakukan terhadap obat pemodifikasi penyakit, seperti tetrasiklin, asam glikosaminoglikan polisulfat, pentosan polisulfat, diacerein, glukosamin dan lain-lain. Saat ini masih terus dilakukan riset target obat baru antagonis reseptor IL-1R (IL-1Ra), inhibitor mitogen-activated protein (MAP) kinases, maupun inhibitor NF-kappaB. Selain itu terapi gen, tranplantasi chondrocyte dan stem cell juga sedang dikembangkan. Berbagai suplemen sudah banyak digunakan untuk terapi OA, seperti glukosamin, chondroitin sulfate, ekstrak jahe, alpukat, dan kedelai, herba cakar kucing, dan tulang rawan hiu. Glukosamin dan chondroitin sulfate, merupakan nutraseutikal yang memberikan efek paling bermakna dalam terapi OA. Kata kunci: osteoarthritis, terapi farmakologi, suplemen. ABSTRACT Osteoarthritis (OA) is one cause of disability activities in geriatrics. The goals of OA therapy are to control symptoms, minimize disability and improve the quality of life. Management of OA include non-pharmacological therapy, pharmacological therapy, and surgery. Pharmacological therapy is further classified into symptomatic therapy and disease modifying therapy. Acetaminophen, the first-line symptomatic therapy, is used by consider the risk of gastrointestinal and cardiovascular toxicity, especially in geriatric. Intra-articular injection of glucocorticoid or hyalurodonic acids provided short-term benefit effects. Currently research is still conducted on disease modifier drugs, such as tetracycline, glycosaminoglycans polysulfuric acid, pentosan polysulphate, diacerein, glucosamine and others. Researchs of new drug targets such as Interleucine-1R receptor antagonist (IL-1Ra), inhibitors of mitogen-activated protein (MAP) kinases, NF-kappaB inhibitor, are also continuously conducted. In addition, gene therapy, stem cell and chondrocytes transplantation also being developed. Various supplements have been widely used for the treatment of OA, such as glucosamine, chondroitin sulfate, ginger extract, avocado and soy, herbs cat's claw, as well as shark cartilage. Glucosamine and chondroitin sulfate are nutraceuticals that provided the most significant effect in the treatment of OA. Key words: osteoarthritis, pharmacological therapy, supplements drug.
TRAINING OF SCIENTIFIC PAPERS WRITING FOR HIGH SCHOOL TEACHER TO IMPROVE THE QUALITY OF THE TEACHER Rina Herowati; Gunawan Pamuji Widodo; Supriyadi Supriyadi; Sunarti Sunarti; Yane Dila Keswara; Nuraini Dewi Purnamasari
J-ABDIPAMAS (Jurnal Pengabdian Kepada Masyarakat) Vol 2, No 1 (2018): April
Publisher : IKIP PGRI Bojonegoro

Show Abstract | Download Original | Original Source | Check in Google Scholar | Full PDF (611.43 KB) | DOI: 10.30734/j-abdipamas.v2i1.176

Abstract

ABSTRACTThe professional development of the teachers through the writing of scientific papers needs to be improved. The obstacle faced by teachers so they did not write scientific paper mainly are caused by limitation of time and not understanding the rules of writing a scientific paper. This devotional activity aims to improve  teachers' motivation to write scientific papers and improve the ability for the teachers to write scientific papers to produce as many articles as published in scientific journals. The method used is situational analysis by interviewing the principal and distributing questionnaires. Furthermore, the preparation of materials, lectures and discussions, as well as accompaniment of scientific writing until the participants successfully publish their articles in scientific journalsKeywords: quality improvement, scientific papers, teachers ABSTRAKPengembangan profesionalitas guru melalui penulisan karya ilmiah perlu ditingkatkan. Kendala yang dihadapi guru sehingga tidak menulis karya ilmiah terutama adalah belum ada waktu dan belum paham aturan penulisan karya ilmiah. Kegiatan pengabdian ini bertujuan untuk meningkatkan motivasi guru menulis karya ilmiah dan  meningkatkan kemampuan guru menulis karya ilmiah hingga dihasilkan sebanyak mungkin artikel yang dipublikasikan di jurnal ilmiah. Metode yang dilakukan adalah analisis situasi dengan wawancara dengan kepala sekolah dan penyebaran kuesioner.  Selanjutnya dilakukan penyusunan materi, ceramah dan diskusi, serta pendampingan penulisan karya ilmiah hingga peserta berhasil menerbitkan artikelnya di jurnal ilmiah.KataKunci: guru, karya ilmiah, peningkatan kualitas
AKTIVITAS ANTIDIABETES EKSTRAK ETANOL DAUN SIRIH MERAH (Piper crocatum) PADA TIKUS PUTIH RETINOPATI DIABETIK: ANTIDIABETIC ACTIVITY ETHANOL EXTRACT OF RED BETEL LEAVES (Piper crocatum) IN DIABETIC RETINOPATHY WHITE RATS Madyo Adrianto; Gunawan Pamudji widodo; Rina Herowati
Medical Sains : Jurnal Ilmiah Kefarmasian Vol 8 No 1 (2023)
Publisher : Sekolah Tinggi Farmasi Muhammadiyah Cirebon

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.37874/ms.v8i1.719

Abstract

Salah satu komplikasi mikrovaskuler pada kondisi diabetes yakni retinopati diabetik dimana terjadi akibat kerusakan sel endotel pada pasien diabetes yang dapat meningkatkan ekspresi VEGF. VEGF mampu menginduksi adhesi leukosit sel endotel retina yang mengakibatkan kerusakan retina. Penelitian ini bertujuan guna mengetahui aktivitas ekstrak etanol daun sirih merah (EDDSM) dalam menurunkan kadar glukosa darah serta aktivitasnya pada kadar VEGF plasma tikus putih retinopati diabetik. Daun sirih merah dikeringkan dan dibuat serbuk halus lalu diekstraksi menggunakan pelarut etanol 70% dengan metode remaserasi. Pengujian dilakukan pada 35 ekor tikus yang terbagi dalam 5 kelompok perlakuan yakni kelompok kontrol negatif, kontrol positif (Glibenklamid), EEDSM dosis 50, 100 dan 200 mg/kgBB. Metode uji antidiabetes menggunakan induksi STZ-NA secara intraperitonial kemudian mengukur kadar glukosa, VEGF awal dan setelah perlakuan pada setiap kelompok kemudian dilakukan analisa menggunakan uji oneway Anova. Berdasarkan hasil pengukuran kadar glukosa darah dan VEGF plasma diperoleh perbedaan yang bermakna diantara kelompok kontrol negatif dengan kontrol positif serta EEDSM dengan nilai signifikan (p<0,05). Hasil penelitian diperoleh EEDSM dosis 100 mg/kgBB ialah dosis efektif dalam menurunkan kadar glukosa darah dengan % PKGD yaitu 18,22%. EEDSM dosis 200 mg/kgBB ialah dosis efektif guna menurunan VEGF plasma tikus retinopati diabetik sebesar 31,20%.
Prediction of Pharmacokinetics Parameter and Molecular Docking Study of Antidiabetic Compounds from Syzygium polyanthum and Syzygium cumini Widia Wati; Gunawan Pamudji Widodo; Rina Herowati
Jurnal Kimia Sains dan Aplikasi Vol 23, No 6 (2020): Volume 23 Issue 6 Year 2020
Publisher : Chemistry Department, Faculty of Sciences and Mathematics, Diponegoro University

Show Abstract | Download Original | Original Source | Check in Google Scholar | Full PDF (191.633 KB) | DOI: 10.14710/jksa.23.6.189-195

Abstract

Syzygium polyanthum leaf extract and Syzygium cumini herbs extract have been reported to have antidiabetic activity. This study aimed to predict the molecular target of chemical constituents of S. polyanthum and S. cumini as well as study their interactions with various macromolecular targets of an antidiabetic agent. Molecular docking of all ligands was studied using the Autodock Vina program in PyRx, and the results are presented as binding affinity values (kcal/mol) of ligand against the protein. PyMOL is used to visualize the 3D molecular of docked conformation and ligand-protein interactions. The predicted pharmacokinetic parameters were obtained by SwissADME. Delphinidin-3-gentiobioside and isoquercitrin are predicted to have good interaction with DPP-4 and α-glucosidase, respectively. However, they are predicted to have poor absorption properties. Quercetin and kaempferol are predicted to have good interaction with PTP1B and glucokinase and showed good pharmacokinetic properties.
Effect of Red Betel (Piper crocatum) Leaf Ethanol Extract On Increased Creatinine and Ureum Levels In White Rat Wistar Strain Induced Streptozotosin-Nikotinamid Franz June Navirius; Gunawan Pamudji; Rina Herowati
Media Farmasi: Jurnal Ilmu Farmasi Vol 20, No 2: September 2023
Publisher : Universitas Ahmad Dahlan

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.12928/mf.v20i2.25457

Abstract

Red betel (Piper crocatum) is a herbal plant that has various bioactivities including antioxidant activity. Red betel leaf can be used in the treatment of diabetes mellitus and has properties as an antioxidant. This study aims to find the activity of normal levels of creatinine and urea induced by Streptozotosin-Nicotinamide in diabetic rats. Red betel leaves are extracted by soaking in 96% ethanol solvent. Phytochemical screening is used to test the class of compounds in red betel leaf extract using the test tube method. Experimental animals in the study were placed in 6 treatment groups, namely no treatment (CMC 1%), negative control (STZ-NA), positive control (Glibenclamide), dose 1 (125 mg/kg BW), dose 2 (250 mg/kg BW), and dose 3 (500 mg/kg BW). A UV-Vis spectrophotometer was used to measure creatinine and urea on days 24, 31, and 39. One Way ANOVA and Post Hoc Test Multiple Comparisons-Tukey HSD were the data analyzers used. Flavonoids, tannins, saponins and alkaloids were shown from the phytochemical screening. Data analysis showed that the 500 mg/kg BW ethanol extract of red betel leaves was able to produce creatinine and urea better than the 125 mg/kg BW and 250 mg/kg BW ethanol extracts of red betel leaves. This situation is due to red betel leaf extract 500 mg/kg BW Data analysis showed that the 500 mg/kg BW ethanol extract of red betel leaves was able to produce creatinine and urea better than the 125 mg/kg BW and 250 mg/kg BW ethanol extracts of red betel leaves.
Lean Approach to Identifying Problems in Outpatient Pharmacy Installations at Simo General Hospital, Boyolali, Indonesia Setiaji Wisnu Wardana; Rina Herowati; Wiwin Herdwiani
Archives of The Medicine and Case Reports Vol. 4 No. 3 (2023): Archives of The Medicine and Case Reports
Publisher : HM Publisher

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.37275/amcr.v4i3.335

Abstract

Lean approach is a method used to analyze value-added and non-value-added activities with the aim of minimizing or eliminating the waste that happens in an institution. The purpose of this research is to identify waste and find the root cause of waste that occurred in the outpatient pharmacy installation at the Simo General Hospital. This research method is non-experimental descriptive research with a qualitative descriptive exploratory approach through questionnaires, observation, and in-depth interviews with respondents. The analysis of this research is the observation of the service process flow with value stream mapping, distributing questionnaires, Borda method to search waste critically, 5why interviews to find the root cause of waste criticism and suggestions for solving problems. The results showed that the critical waste that occurred was waste waiting with a percentage value of 23.41%. The root cause of waste waiting is the accumulation of prescription queues at the preparation, dispensing delivery of drugs, and PIO stages due to a lack of pharmaceutical technical personnel. The proposed improvement in waste waiting is to increase the number of pharmacy officers by first calculating the workload.
Evaluation of Drug Management and Improvement Strategies Using the Hanlon Method in the Pharmacy Installation of Ki Ageng Selo Wirosari General Hospital, Grobogan Regency, Indonesia Nugroho Wisnu Putro; Rina Herowati; Gunawan Pamudji Widodo
Archives of The Medicine and Case Reports Vol. 4 No. 3 (2023): Archives of The Medicine and Case Reports
Publisher : HM Publisher

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.37275/amcr.v4i3.338

Abstract

Drug management in the hospital is one of the important hospital management. Its inefficiency can have a negative impact on the hospital, both medically and economically. The purpose of this study was to evaluate drug management at the pharmacy installation of Ki Ageng Selo General Hospital by using efficiency indicators and implementing improvement strategies using the Hanlon method. This study uses a descriptive design for data that is retrospective and concurrent. Data in the form of quantitative and qualitative accompanied by interviews with related parties. All stages of drug management at the Pharmacy Installation of Ki Ageng Selo General Hospital were measured for their level of efficiency using indicators from the Ministry of Health, Permenkes, and WHO, then compared with standards and described based on priority analysis of action plans using the Hanlon method. The results of the study according to the standards were: the suitability of the available drug items with the RS Formulary (92.21%), the frequency of delayed payments (5 times), the percentage of correctness between the drug and the stock card (100%), the level of drug availability (12 months), average time spent serving prescriptions to patients (non-concocted 7.7 minutes, concocted 17 minutes), percentage of prescriptions with generic drugs (84.9%). Stages of drug management that are not in accordance with standards, namely: the percentage of available capital/funds with all the funds needed (202.14%), the percentage of drug procurement funds allocation (20.17%), the percentage of expired drug value (8.1%), the number of drug items per prescription sheet (4.27). Priorities for handling problems are as follows: 1) Monitor drugs for a maximum of 6 months before the ED, 2) Increase the role of KFT in evaluating and coordinating with doctors regarding the use of drugs to avoid polypharmacy, 3) Evaluation is needed every 3 months or 6 months for budget revisions, 4) carry out an evaluation at the end of each year to determine the budget and better coordination between drug managers and hospital fund providers.