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All Journal Indonesian Journal of Pharmaceutical Science and Technology Indonesian Journal of Biological Pharmacy
Claudiana, Nur Shelly Ester
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Biochemistry, Genetics & Molecular Biology Computer Science & IT Health Professions Immunology & microbiology Medicine & Pharmacology

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In Silico Study of Nigella sativa L. on HMG-CoA Reductase Inhibition as an Anti-Dyslipidemic Agent Margaret, Adeline; Andini, Tania Nur; Fahlevi, Zakia Aurora; Najib, Muhammad; Claudiana, Nur Shelly Ester; Colin, Michelle Natasha; Nuwarda, Rina Fajri
Indonesian Journal of Pharmaceutical Science and Technology Vol 12 (2025): Vol. 12 Suppl. 2 (2025)
Publisher : Indonesian Journal of Pharmaceutical Science and Technology

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.24198/ijpst.v12i0.60787

Abstract

Dyslipidemia is a condition of lipid metabolism characterized by an imbalance of total cholesterol, low-density lipoprotein (LDL), high-density lipoprotein (HDL), and triglyceride levels in the blood. This biosynthesis process can occur through a mechanism modulated by β-Hydroxy β-methylglutaryl-CoA (HMG-CoA) reductase. The most commonly used drug that works by inhibiting this enzyme is simvastatin. However, there are still significant side effects. In this work, in silico studies were performed on compounds from black cumin (Nigella sativa L.), namely alpha-pinene, p-cymene, nigellimine N-oxide, nigellidine, carvacrol, alpha-hederin, dithymoquinone, thymohydroquinone, thymoquinone, thymol, and nigellicine to predict their activity against HMG-CoA reductase as drug candidates in the treatment of dyslipidemia. The experiments were carried out using computational approaches, such as Lipinski's Rule of Five and ADMET prediction, pharmacophore modeling, and molecular docking simulation. Based on the molecular docking results, there are three compounds that exhibit strong interactions with amino acid residues on HMG-CoA reductase, which have the lowest binding energy values and inhibition constants: nigellicine (-6.84 kcal/mol, 9.71 μM), nigellidine (-6.44 kcal/mol, 19.16 μM), and nigellimine N-oxide (-6.14 kcal/mol, 31.34 μM). These three compounds have potential and can be modified to become candidates for antidyslipidemic drugs with a competitive inhibitor mechanism.
Plasma Fractionation: Conditions and Challenges Rambia, Ikhsan; Insyirah, Ariani; Claudiana, Nur Shelly Ester; Fath, Zulfa Tavira Al; Permadi, Najla Eksakta; Sriwidodo, Sriwidodo; Rustan, Mas Rahman
Indonesian Journal of Pharmaceutical Science and Technology Vol 12, No 3 (2025)
Publisher : Indonesian Journal of Pharmaceutical Science and Technology

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.24198/ijpst.v12i3.63343

Abstract

Plasma is a blood component that has a role in treating various diseases, such as haemophilia and blood-clotting disorders. Plasma used for treatment is referred to as plasma-derived drug products (PDMPs), which are obtained through the plasma fractionation process. This study aims to explore the conditions of plasma fractionation in various countries and highlight some of the challenges faced by the plasma fractionation industry. The methods used include searching for articles published over the past decade from trusted sources, such as Google Scholar, PubMed, and ScienceDirect, using specific keywords. The results of literature studies related to plasma fractionation were obtained from 20 countries spanning several continents. The conditions and challenges faced in plasma fractionation in those countries differ. Some of the challenges faced are related to technology, regulation, plasma sources, human resources, and the economy. Currently, Indonesia is working with South Korea to build the first plasma fractionation facility. Therefore, the conditions and challenges faced by various countries can serve as a reference for Indonesia in preparing the factors that influence plasma fractionation development, in accordance with the World Health Organization (WHO) recommendations.
Aktivitas In Silico Senyawa pada Biji Pepaya (Carica papaya) terhadap Dipeptidyl Peptidase-4 Faisal, Davin Ezra Arkan Al; Sahrandi, Fahri Dejan; Fasyanora, Liviananda; Yani, Indri Widuri; Claudiana, Nur Shelly Ester; Colin, Michell Natasha; Nuwarda, Rina Fajri
Indonesian Journal of Biological Pharmacy Vol 5, No 3 (2025): IJBP (Desember)
Publisher : Department of Biological Pharmacy, Faculty of Pharmacy, Universitas Padjadjaran

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.24198/ijbp.v5i3.69094

Abstract

Diabetes merupakan salah satu penyakit yang banyak diderita oleh orang Indonesia. Riset Kesehatan Dasar (RISKESDAS) tahun 2018 oleh Departemen Kesehatan menunjukan bahwa prevalensi Diabetes Mellitus di Indonesia mengalami peningkatan dari tahun 2013 sebesar 2,1% menjadi 10,9% pada tahun 2018. Oleh karena itu perlu terus dilakukan  penelitian tentang obat diabetes baru yang dapat memberikan efisiensi yang maksimal dan efek samping yang paling sedikit. Pepaya adalah buah yang dapat dengan mudah ditemui di Indonesia, berdasarkan penelitian terhadap tikus diabetes, ekstrak biji dan daun pepaya mampu memberikan efek antihiperglikemik secara signifikan. Alkaloid, saponin dan tanin yang terkandung pada pepaya diduga memberikan efek antidiabetesPenelitian ini bertujuan untuk mengetahui interaksi molekuler dari senyawa-senyawa yang terkandung dalam biji pepaya dengan protein Dipeptidyl peptidase-4 (DPP-4) yang memiliki potensi sebagai agen antidiabetes menggunakan metode penambatan molekuler, prediksi Lipinski’s, dan PreADMET. Pengujian dilakukan dengan menggunakan perangkat lunak ChemDraw, BIOVIA Discovery Studio 2021, dan AutoDock Tools 1.5.6 serta situs DUD-E, PreADMET, RCSB, dan SwissADME. Dari hasil analisis, diketahui bahwa senyawa trifluoromethyl merupakan kandidat obat terbaik dengan nilai energi ikatan dan konstanta inhibisi berturut-turut sebesar −10,34 kkal/mol dan 0,02629 µM, dengan interaksi yang terjadi pada residu asam amino GLU B:167, HIS B:644, TYR B:662, GLU B:168, dan SER B:626.
Co-Authors Andini, Tania Nur Colin, Michell Natasha Colin, Michelle Natasha Fahlevi, Zakia Aurora Faisal, Davin Ezra Arkan Al Fasyanora, Liviananda Fath, Zulfa Tavira Al Insyirah, Ariani Margaret, Adeline Muhammad Najib Permadi, Najla Eksakta Rambia, Ikhsan Rina Fajri Nuwarda, Rina Fajri Rustan, Mas Rahman Sahrandi, Fahri Dejan Sriwidodo Sriwidodo Yani, Indri Widuri