Judul: Potency of Ginger (Zingiber officinale) Rhizome Compounds as anti-Propionibacterium acnes Based on Molecular Docking Study
Abstrak: Jerawat adalah masalah kulit karena pertumbuhan bakteri Propionibacterium acnes yang tidak terkendali. Senyawa yang terkandung dalam rimpang jahe (Zingiber officinale) diduga memiliki aktivitas anti-P. acnes melalui penghambatan enzim lipase, ekso-β-1,4-manosidase, dan β-ketoasil-[protein-pembawa-asil] sintase III (KAS III). Penelitian ini bertujuan mendapatkan potensi senyawa antibakteri dalam rimpang jahe terhadap P. acnes berdasarkan kajian penambatan molekul in silico. Ligan uji yang digunakan adalah senyawa dalam ekstrak dan minyak atsiri rimpang jahe, sedangkan ligan kontrolnya adalah benzoil peroksida. Protein target yang digunakan adalah enzim KAS III, lipase, dan ekso-β-1,4-manosidase dari P. acnes. Penambatan molekul dibantu dengan perangkat lunak AutoDock Tools, AutoDock Vina, dan LigPlus. (−)-Zingiberena, 10-shogaol, akorenon B, dan β-eudesmol adalah senyawa paling berpotensi sebagai anti-P. acnes., Acne is a skin problem due to the uncontrolled growth of the bacteria Propionibacterium acnes. Compounds contained in the ginger (Zingiber officinale) rhizome are thought to have anti-P. acnes activity by inhibiting lipase, exo-β-1,4-mannosidase, and β-ketoacyl-[acyl-carrier-protein] synthase III (KAS III) enzymes. This study aimed to determine the potential of antibacterial compounds in ginger rhizome against P. acnes based on molecular docking in silico study. The test ligands used were compounds in ginger rhizome extract and essential oil, while the control ligand was benzoyl peroxide. The target proteins used were KAS III, lipase, and exo-β-1,4-mannosidase enzymes from P. acnes. Molecular docking was assisted by AutoDock Tools, AutoDock Vina, and LigPlus software. (−)-Zingiberene, 10-shogaol, acorenone B, and β-eudesmol are the most potent compounds as the anti-P. acnes.
Keyword: 10-shogaol, lipase, molecular docking, Propionibacterium acnes, Zingiber officinale

Judul: Identification of Potential Compounds in Red Ginger (Zingiber officinale var. Rubrum) as SARS-CoV-2 3CL Protease Inhibitor with Molecular Docking Method
Abstrak: Virus korona merupakan virus yang menimbulkan kondisi patologis yang disebut sebagai Coronavirus Disease 2019 (COVID-19), dengan patogennya disebut sebagai Severe Acute Respiratory Syndrome Coronavirus 2 (SARS-CoV-2). Belum ada pengobatan pasti untuk menyembuhkan COVID-19, sehingga banyak masyarakat Indonesia yang menggunakan pengobatan tradisional untuk menangkal COVID-19, seperti dengan mengkonsumsi jahe merah (Zingiber officinale var. Rubrum). Penelitian ini bertujuan mengidentifikasi senyawa-senyawa yang terkandung dalam jahe merah, yaitu ar-kurkumin, gingerol, geraniol, shogaol, zingiberen, gingerenon, dan zingiberenol yang akan dijadikan ligan yang berpotensi sebagai inhibitor protease 3CL SARS-CoV-2 denganpendekatan penambatan molekuler melalui lima parameter, yaitu perubahan energi bebas Gibbs (∆G), tetapan inhibisi, jumlah ikatan hidrogen, prediksi aturan Lipinski, dan tingkat toksisitas. Hasil penelitian ini menunjukkan bahwa senyawa gingerenon berpotensi sebagai inhibitor protease 3CL SARS-CoV-2 dengan nilai energi bebas Gibbs sebesar -7,5 kkal /mol, tetapan inhibisi sebesar 3,15 M, membentuk 1 ikatan hidrogen, tergolong ke dalam senyawa dengan toksisitas sedang, dan memenuhi semua aturan Lipinski., Coronavirus is a virus that causes a pathological condition known as Coronavirus Disease 2019 (COVID-19), with the pathogen referred to as Severe Acute Respiratory Syndrome Coronavirus 2 (SARS-CoV-2). There is no definite treatment to cure COVID-19, so many Indonesians use traditional medicine to ward off COVID-19, such as by consuming red ginger (Zingiber officinale var. Rubrum). This study aims to identify the compounds contained in red ginger, namely ar-curcumene, gingerol, geraniol, shogaol, zingiberene, gingerenone, and zingiberenol which will be used as ligands that have potential as SARS-CoV-2 3CL protease inhibitors with a molecular docking approach through five parameters, namely changes in Gibbs free energy (∆G), inhibition constant, number of hydrogen bonds, prediction of Lipinski rule, and level of toxicity. These results indicate that the compound has potential as protease inhibitors gingerenon 3CL SARS-CoV-2 with Gibbs free energy value of 7.5 kcal / mol, inhibition constants of 3.15 μM, forming hydrogen bonds 1, belonging to the compound with moderate toxicity, and complies with all Lipinski rules
Keyword: gingerenone, molecular docking, protease 3CL SARS-CoV-2, red ginger

Judul: Implementasi Space Time Composite (STC) Data Model Menggunakan Model Data Relasional
Abstrak: The data model is a concept that describes the data stored in the database and the relationship between the data to the user in logic. Development of data models is very important in the design of the database as the basis of the stage of database design to be made. This study aims to apply the concept of Space Time Composite (STC) on the Model Data storage vector data types that can store enough information and describes the process of drafting objects and objects spatiotemporal evolution over time. From the results of the test queries on the data model that have been created, queries in a system are acquired that can help display the information preparation of objects from time to time and know the history of the object polygon and arc that has undergone changes in topology.
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