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Pharmacophore Screening and Molecular Docking of Andrographolide and Its Derivatives on Plasmepsin as Antimalarial Drug Sandra Megantara
Journal of Global Pharma Technology Volume 12 Issue 08
Publisher : Journal of Global Pharma Technology

Show Abstract | Download Original | Original Source | Check in Google Scholar | Full PDF (831.989 KB)

Abstract

The study was conducted to find out andrographolide and its derivatives which could interact with plasmepsin, an aspartic protease enzyme that usually used as target for antimalaria. The study began with pharmacophore modeling using LigandScout software. Pharmacophores were searched for plasmepsin I, II, and IV, with pdb codes were 3QS1, 1SME, and 1LS5 respectively. Pharmacophores were generated using structure-based and ligand-based pharmacophore methods and retrospective validation was used to validate them. Pharmacophore screening was carried out for andrographolide and its derivatives, then for the hit compounds, continued by molecular docking using AutoDock Vina module in LigandScout software. Pharmacophores for plasmepsin I, II, and IV consist of hydrogen bond donors, hydrogen bond acceptors and hydrophobic interactions, with the best validated AUC values for each model were 0.73, 1.00, and 1.00 respectively. Andrographolide derivatives (AND10 and AND15) had high fit scores for plasmepsin I, II, and IV pharmacophore. The results of molecular docking showed that andrographolide and its derivatives (AND10 and AND15) interacted well with the plasmepsin by binding to important aspartic amino acid residues in the active site. From the binding affinity, AND15 was the best compound interacted with plasmepsin I, II, and IV with ∆G values were 1, 2, and 3 kcal/mol respectively. Andrographolide derivative (AND15) was the best compound interacted with plasmepsin, so it was potential to be developed into new antimalarial drug.
Solubility Enhancement of Carvedilol by Solid Dispersion Technique Using Sodium Alginate, Guar Gum, Xanthan Gum, and Locust Bean Gum as Polymers Iyan Sopyan; Nurdiani Adiningsih; Sandra Megantara; Siska Sari Marvita
Indonesian Journal of Chemistry Vol 23, No 2 (2023)
Publisher : Universitas Gadjah Mada

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.22146/ijc.77698

Abstract

Carvedilol (CVD) is a non-selective β-blocker. CVD is included in BCS class II. It has low water solubility. In this research, solid dispersion was used to increase the solubility and dissolution profile of CVD. In silico study using the ligand-ligand docking method. The preparation of solid dispersion using the kneading method with a weight ratio of 1:1, 1:2, 1:3, and 1:4, evaluation of solid dispersion includes solubility and dissolution. The best solid dispersion was characterized using FTIR, DSC, and PXRD. In silico study showed complexes CVD-SA, CVD-GG, CVD-XG and CVD-LBG have a hydrogen interaction. SA and XG were chosen as carriers in solid dispersion. CVD solid dispersion showed increased solubility in all samples, with the highest increase at 90.63 times at CVD: XG (1:4). The results of the dissolution profile obtained at 60 min are 64.95 ± 0.45% at pure CVD, 83.32 ± 1.19% at CVD:SA (1:4), and 72.56 ± 3.62% at CVD: XG (1:4). The FTIR spectrum indicates an interaction between CVD and SA. The thermogram indicated the amorphous drug, and the diffractogram showed a decrease in crystallinity. Solid dispersion is proven to increase the solubility and dissolution profile of CVD. Solid dispersion CVD: SA (1:4) showed the highest solubility and dissolution profile.
REVIEW OF THE PHYTOTHERAPY FOR NEPHROLITHIASIS Ridwan, Hanna Salwa; Megantara, Sandra; Levita, Jutti
Jurnal Ilmiah Farmako Bahari Vol 15, No 1 (2024): Jurnal Ilmiah Farmako Bahari
Publisher : Faculty of Mathematic and Natural Science, Garut University

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.52434/jifb.v15i1.2877

Abstract

Nephrolithiasis (kidney stone) cases have a prevalence ranging from 1% to 13%. The disease not only hampers kidney function but also elevates the risk of chronic kidney diseases. The pathophysiology of nephrolithiasis is closely linked to elevated concentrations of calcium, oxalate, and/or uric acid in the urine. Pharmacotherapy to manage nephrolithiasis includes thiazide diuretics, allopurinol, citrate supplements, and alpha-blockers that have been prescribed to relieve symptoms. In addition, there is growing interest in exploring the potential of phytotherapy. This review aims to identify suitable phytotherapy approaches by examining relevant articles on nephrolithiasis. The research methodology involved searching PubMed articles using the keywords of (("Plant Extracts") AND ("Nephrolithiasis")) OR ("Ureterolithiasis"). The articles obtained from the initial search were n =123. 2 authors screened articles for their eligibility. The inclusion criteria were limited to articles written in English, topics related to nephrolithiasis and not other kidney diseases, the botanical names of the plants and the method of extraction are clearly described, complete studies with clear descriptions regarding the methods and results, not synthetic drugs, and not involving medical instruments or laser to remove the stones. Articles included in the review were n = 17. Water and hydro-alcohol were the solvents used to extract the plants. Twenty-two plants have confirmed their anti-nephrolithiasis activity, and nine articles described the assay by in vivo study, two by in vitro study, three by both in vitro and in vivo study, and only one article mentioned a study in humans by a randomized-control trial on a mixture of herbs. It is concluded that Rhizoma alismatis, Poria cocos, Polyporus umbellatus, Atractylodis macrocephalae, and Cinnamomi Cassiae prepared as a mixture in the Wu-Ling-San formula have a potential therapeutic effect on nephrolithiasis, as this formula has been studied in humans.
Analisis Overall Equipment Effectiveness (OEE) serta Peningkatan Produktivitas Mesin Pengemasan Primer dengan Pendekatan Total Productive Maintenance (TPM) AFIFAH, NURUL; Megantara, Sandra
Farmaka Vol 21, No 1 (2023): Farmaka (Maret)
Publisher : Fakultas Farmasi, Universitas Padjadjaran

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.24198/farmaka.v21i1.43442

Abstract

Total Productive Maintenance merupakan suatu sistem yang dapat dimanfaatkan untuk merawat dan meningkatkan kualitas produksi melalui perawatan mesin maupun alat yang digunakan. Total Productive Maintenance dilaksanakan dengan melibatkan kompetensi dan kinerja operator melalui perubahan kebiasaan dalam bekerja. Dalam penerapan TPM, dikenal 8 pilar TPM yang merupakan panduan untuk penerapan Total Productive Maintenance (TPM). Adapun 8 pillar dari TPM yaitu Autonomour maintenance, Planned maintenance, Equipment and Process Improvement, Early Management of New Equipment, Process Quality Management, TPM in the office, Education nand Training, Safety and Environmental Management. OEE dapat didefinisikan sebagai salah satu indikator pengukuran dari penerapan TPM (Total Productive Maintenance) yang dapat menunjukkan seberapa efektif mesin dapat beroperasi. Artikel ini ditulis untuk menganalisis nilai OEE dari mesin pengemas primer serta meningkatkan produktivitasnya dengan menerapkan prinsip pada TPM.Kata Kunci: TPM, OEE
Analisis Pengaruh Bobot Slug Terhadap Kekerasan Slug Menggunakan Data IPC (In Process Control) Produk Tablet di Salah Satu Industri Farmasi di Indonesia Auliya AS, Nisa Nurul; Megantara, Sandra
Farmaka Vol 22, No 2 (2024): Farmaka (Juli)
Publisher : Fakultas Farmasi, Universitas Padjadjaran

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.24198/farmaka.v22i2.53822

Abstract

Granulasi merupakan proses pembesaran partikel yang melibatkan proses penggumpalan partikel kecil menjadi partikel dengan ukuran lebih besar. Pada metode granulasi kering, campuran bahan dikompres tanpa menggunakan panas dan pelarut, melainkan dengan cara pengempaan menjadi tablet ukuran besar atau slug lalu digiling menjadi granul yang memiliki sifat alir yang lebih baik. Proses pengempaan menjadi slug disebut dengan proses slugging. Karena pada proses slugging, campuran bahan yang dicetak masih memiliki ukuran partikel yang kecil dibandingkan dengan pada saat proses pencetakan, sehingga memiliki kemungkinan berpengaruh terhadap keseragaman bobot dan kekerasan slug, oleh karena itu penelitian ini dilakukan untuk menganalisis apakah bobot berpengaruh terhadap kekerasan slug menggunakan data IPC 3 bets produk tablet pada proses slugging. Pengolahan data meliputi uji normalitas, uji homogenitas, dan analisis regresi dilakukan menggunakan software minitab 14. Analisis data dilakukan menggunakan metode kolmogorov smirnov untuk uji normalitas, metode levene’s test untuk uji homogenitas, dan uji regresi untuk analisis pengaruh. Hasil uji normalitas menunjukkan data berdistribusi normal dan hasil uji homogenitas menunjukkan data memiliki varian yang sama ( P > 0,15). Berdasarkan analisis regresi, bobot memiliki pengaruh sebesar 8,24% terhadap kekerasan slug dengan arah korelasi antara 2 variabel tersebut adalah berbanding lurus.
Edukasi Hidup Sehat Tanpa Diabetes Dengan Pemanfaatan Tanaman Obat Bagi Masyarakat Desa Mekarjaya Banjaran Musfiroh, Ida; Megantara, Sandra; Holik, Holis Abdul; Susilawati, Yasmiwar; Wilar, Gofarana
Journal of Community Development Vol. 3 No. 3 (2023): April
Publisher : Indonesian Journal Publisher

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.47134/comdev.v3i3.113

Abstract

Diabetes mellitus in Indonesia now ranks 5th with the highest number of diabetes mellitus sufferers in the world. At present, the prevalence has increased from 6.2% compared to 2019. Diabetics need to get effective and safe drugs in order to avoid various complications. In addition to using pharmacological therapy, it is also necessary to carry out non-pharmacological therapy. One type of medicinal plant that is known to be effective in reducing sugar is ginger and cinnamon, but there has not been much reported on its processing other than in the form of a decoction or marinade. The purpose of carrying out this PPM activity is to increase the knowledge and understanding of the people of Mekarjaya Banjaran Village regarding the use of medicinal plants as anti-diabetics, and provide knowledge about making ginger-cinnamon instant powder drinks. The activity method is carried out in 3 stages, namely the planning, implementation, evaluation and follow-up stages. The results of this PPM activity show that the community has a better understanding of efforts to be healthy in preventing diabetes through the use of ginger-cinnamon medicinal plants, and how to process them through instant powders. The evaluation is carried out based on the results of the initial test and the final test as a method for measuring the achievements of this PPM activity.
PENGETAHUAN MASYARAKAT DI DALAM DAN DI LUAR PROVINSI JAWA BARAT MENGENAI COVID-19 DAN ISOLASI MANDIRI Muchtaridi, Muchtaridi; Megantara, Sandra; Rusdin, Agus; Fatharan, Rahma Haniyyah; Aeni, Wida Nur; Ginanjar, Gin Gin
DHARMAKARYA: Jurnal Aplikasi Ipteks untuk Masyarakat Vol 13, No 2 (2024): Juni : 2024
Publisher : Universitas Padjadjaran

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.24198/dharmakarya.v13i2.38422

Abstract

Jawa Barat menjadi salah satu wilayah dengan kasus terkonfirmasi positif Covid-19 terbanyak di Indonesia. Penelitian ini dilakukan untuk untuk mengukur tingkat pengetahuan masyarakat dari dalam dan luar Jawa Barat mengenai Covid-19 dan isolasi mandiri. Penelitian ini menggunakan random sampling survey terhadap 447 warga secara online. Kategori tingkat pengetahuan responden ditentukan berdasarkan pengkategorian Arikunto (2013). Hasilnya, tingkat pengetahuan masyarakat mengenai Covid-19 dan isolasi mandiri dikategorikan baik dengan skor 75,7%.
The Binding Mode and Molecular Dynamics of Epigallocatechin and Epigallocatechin Gallate with Human Superoxide Dismutase 1 in Complex with a Naphthalene-Catechol Linked Compound Levita, Jutti; Bawono, Lidya Cahyo; Khairinisa, Miski Aghnia; Jiranusornkul, Supat; Megantara, Sandra; Ikhsan, Muhammad
Indonesian Journal of Pharmaceutical Science and Technology Vol 11, No 1 (2024)
Publisher : Indonesian Journal of Pharmaceutical Science and Technology

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.24198/ijpst.v11i1.51034

Abstract

Superoxide dismutases (SODs) are metalloenzymes that defend the body against reactive oxygen species and contribute to combating inflammation. Human cells have three distinct SODs, i.e., manganese SOD (MnSOD), extracellular SOD(ECSOD), and copper-zinc SOD (Cu-ZnSOD) or SOD1. The crystal structure of human SOD1 in a complex with a naphthalene-catechol-linked compound revealed hydrogen bonds and hydrophobic interaction. Catechins arepolyhydroxylated polyphenols contained in the leaves of Camellia sinensis L. This work aims to study the binding mode and molecular dynamics of two major catechins, epigallocatechin (EGC) and epigallocatechin gallate (EGCG) with human SOD1 (in complex with SBL1, a naphthalene-catechol linked compound). Both catechins demonstrated a binding mode with the enzyme, in terms of hydrogen bonds and hydrophobic interaction, similar to the native ligand (SBL1). Of the two catechins, EGC possesses a better binding affinity (docking score of -4.15 kcal/mol) for human SOD1 compared to EGCG (docking score of -4.02 kcal/mol), thus the EGC-SOD1 complex was continued in MD simulation to investigate the conformational stability and time-dependent ligand binding ability in the binding pocket. The molecular dynamics simulation confirmed that EGC is more stable than the native ligand, SBL1, with the RMSD average value of SBL1 and EGC being 1.1669 Å and 0.5607 Å, respectively. Taken together, this study confirms the antioxidant activity of catechins in C. sinensis L.
Analisis Risiko Kualifikasi Pemasok dan Pendekatan Mitigasi Risikonya dalam Manajemen Rantai Pasok Industri Farmasi Ella Fazila; Sandra Megantara; Gracia Anastasya
Jurnal Mahasiswa Ilmu Kesehatan Vol. 3 No. 2 (2025): Jurnal Mahasiswa Ilmu Kesehatan
Publisher : STIKes Ibnu Sina Ajibarang

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.59841/jumkes.v3i2.2536

Abstract

Pharmaceutical products play a crucial role in supporting medical interventions to prevent, treat, and cure diseases, making their availability and quality key factors in healthcare services. Therefore, the pharmaceutical supply chain must ensure the availability of medicines in adequate quantities and meet quality standards. Supplier qualification is a critical step in supply chain management aimed at ensuring quality, sustainability, and compliance with regulations. This article analyzes the main risks in the supplier qualification process, such as quality risks, compliance risks, and supply disruptions. Risk mitigation strategies, such as regular audits, source diversification, and the implementation of digital technologies, play an important role in enhancing the efficiency, flexibility, and sustainability of the pharmaceutical supply chain, thereby supporting the competitiveness of the industry in consistently meeting market demands and complying with stringent regulatory standards. Through this research, it is hoped that strategic guidelines can be produced to improve the efficiency of pharmaceutical supply chain risk management, resulting in a positive impact on the overall healthcare system.
UJI TOKSISITAS EKSTRAK AIR SAGA POHON (Adenanthera pavonina L.) DENGAN METODE BRINE SHRIMP LETHALITY BIOASSAY (BSLB) Arnanda, Quinzheilla Putri; Lestari, Shinta; Ramadhan, Saqila Alifa; Fatimah, Diah Siti; Widiyastuti, Shella; Oktaviani, Dede Jihan; Megantara, Sandra
JURNAL FARMASI GALENIKA Vol 7 No 2 (2020): Jurnal Farmasi Galenika Volume 7 No. 2
Publisher : Universitas Bhakti Kencana

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.70410/jfg.v7i2.168

Abstract

Ekstrak air saga pohon (Adenanthera pavonina L.) banyak digunakan dalam pengobatan antiinflamasi dan analgesik, namun masih belum diketahui toksisitasnya. Kandungan kimia dari daun saga pohon adalah alkaloid, triterpen, sterol, asam lemak, flavonoid, dan pavonin. Penelitian ini bertujuan untuk mengetahui toksisitas ekstrak air saga pohon menggunakan metode Brine Shrimp Lethality Bioassay (BSLB) dengan konsentrasi ekstrak 15.625; 31.25; 62.5; 125; 250; 500 dan 1000 g/ml yang dilakukan terhadap larva udang (Artemia salina Leach) menggunakan teknik microwell. Diperoleh hasil yaitu tidak ditemukan kematian larva udang di berbagai konsentrasi, sehingga dapat dikatakan ekstrak air saga pohon tidak bersifat toksik dan aman digunakan untuk pengobatan reumatik dan asam urat. Kata kunci: Adenanthera pavonina L., BSLB, LC50, toksisitas.
Co-Authors Ade Zuhrotun Adira Rahmawaty Aeni, Wida Nur Alifia Syifa Pebriani Annisa Ayu Ningtyas Carolina Sitepu ARNANDA, QUINZHEILLA PUTRI ASRI SAVITRI Atusholihah, Annisa Auliya AS, Nisa Nurul Baihaqi, Achmad Al Batari A. Larasati Bawono, Lidya Cahyo Dede Jihan Oktaviani Dede Jihan Oktaviani Dhania Novitasari Diah Siti Fatimah DIAH SITI FATIMAH Eli Halimah, Eli Ella Fazila Elsa Noor Hapitria Ester Uli Elisabeth Simanjuntak Fadhilah, Ersa FAJRA DINDA CRENDHUTY Fatharan, Rahma Haniyyah FATIMAH, DIAH SITI Fauzia Rahma Cahyani Fauziyyah, Ganis Fitria Febrina Amelia Saputri Febrina Amelia Saputri, Febrina Amelia Filza Yulina Ade Ganendra Akbar Hadiyanto Gin Gin Ginanjar, Gin Gin Gofarana Wilar Gracia Anastasya Hanna Goeanawan HARTONO, ADI Holis Abdul Holik, Holis Abdul Hutabarat, Rismauli Ruth Natasari Ida Musfiroh -, Ida Musfiroh Isman, Hasna Siti Munifah Iyan Sopyan Jiranusornkul, Supat Jutti Levita Khairinisa, Miski Aghnia Maknun, Shofiyah Durin Maryam Hasymia Ishmatullah Mochamad Rizal Muchtaridi Muchtaridi Muhammad Afif Muhammad Ikhsan Muhammad Syahid Abdillah Mutakin Mutakin Nabila Alivia Yasmin NADIATUL KHAIRA. Y Nasrul Wathoni Nisa Safitri Norisca Aliza Putriana Nova Sylviana Nurdiani Adiningsih Nurdiani Adiningsih OKTAVIANI, DEDE JIHAN Prayoga, Randy Rassi Quinzheilla Putri Arnanda Quinzheilla Putri Arnanda RAMADHAN, SAQILA ALIFA Rania Talinta L Ray, Hamidie Ronald Daniel Rejeki, Purwo Sri Ridwan, Hanna Salwa Rina Wijayanti Rini Hendriani Ronny Lesmana Rusdin, Agus Sabila, Rusydina Salim, Prayoga Drajat Pangestu Salsabilla, Bunga Indra Saqila Alifa Ramadhan Saqila Alifa Ramadhan Shella - Widiyastuti Shella Widiyastuti Shella Widiyastuti Shinta Lestari SHINTA LESTARI Shinta Lestari, Shinta Silvia, Nurfianti Siska Sari Marvita Sitti Faza Karima Slamet Ibrahim - SOLEH SOLEH SOLEH Sri Adi Sumiwi Sri Indrayani Suhandi, Cecep Suhendi, Cece Susianti Susianti Trie Oktaviani Unang Supratman Vita Murniati Tarawan Widiyastuti, Shella Yasmiwar Susilawati Yogiyanto Yogiyanto Yuni Susanti Pratiwi