Judul: Potensi Senyawa Aktif Kulit Kayu Gmelina (Gmelina arborea) sebagai Inhibitor Spike SARS-CoV-2 Asal Indonesia Melalui Uji In Silico
Abstrak: Jati putih (Gmelina arborea) merupakan tanaman yang memiliki aktivitas antioksidan dari famili Verbenaceae. Tanaman ini biasanya dijadikan obat antidiabetes, memiliki aktivitas antioksidan, dapat meregenerasi sel serta aktivitas insektisida pada tanaman. Protein spike terdiri dari dua subunit, yaitu S1 dan S2. Subunit 1 memiliki domain pengikatan reseptor (Receptor Binding Domain/RBD) sedangkan Subunit S2 untuk proses fusi virus dengan membran. Penelitian ini bertujuan untuk menganalisis senyawa aktif dari kulit kayu Gmelina (Gmelina arborea) sebagai inhibitor dalam interaksi Spike SARS-CoV-2 asal Indonesia dengan reseptor ACE2. Senyawa aktif yang digunakan yaitu gmelinol;4- (2hydroxyethyl) phenol[2(4 hydroxyphenyl)ethanol] ;(+) balanophonin ;2,6 dimethoxy-p-benzoquinone; 3,4,5- trimethoxyphenol, serta ligan pembanding yaitu emodin dan luteolin. Parameter yang menjadi acuan yaitu energi afinitas (ΔG), konstanta inhibisi (Ki), serta jenis interaksinya (kompetitif). Balanophonin memiliki potensi yang paling tinggi di antara ligan uji lainnya karena memiliki nilai energi afinitas ikatan yang paling tinggi yaitu -5,6 kcal/mol, serta berbanding lurus dengan KI sebesar 78,10 μM., White teak (Gmelina arborea) is a plant from Verbenaceae family that has antioxidant activities. This plant is usually used as antidiabetic medicine, antioxidant activities, cell regeneration and insecticidal activity for plants. The spike protein consists of the two subunits: S1 and S2. Subunit 1 has the receptor binding domain (RBD), while Subunit 2 is used as viral fusion process with the membrane. The aim for this research was to analyze active compounds from Gmelina arborea teak bark as the inhibitor in the interaction of Spike SARS-CoV- 2 from Indonesia with ACE2 receptor. The active compounds that were being analyzed were Gmelinol;4-(2-hydroxyethyl)-phenol [2-(4-hydroxyphenyl)-ethanol] ; (+)Balanophonin ; 2,6dimethoxy-p-benzoquinone ; 3,4,5-trimethoxyphenol, with Emodin and Luteolin as the ligands comparison. The parameters for the references were Affinity energy (ΔG), inhibition constant (Ki), and the interaction type (competitive). Balanophonin has the highest potential among other ligands since it has the highest binding affinity energy of -5,6 kcal / mol, and it is directly proportional to the KI value of 78,10 μM.
Keyword: Active compounds, balanophonin, Gmelina arborea, In Silico, spike protein

Judul: Analisis Penambatan Molekuler Senyawa Aktif Kulit Kayu Gmelina arborea terhadap Endoribonuklease SARS-CoV-2
Abstrak: COVID-19 disebabkan oleh infeksi SARS-CoV-2, tingkat keparahannya beragam sesuai dengan tingkat kekebalan tubuh penderita. Aktivitas antioksidan dalam kulit kayu Gmelina berpotensi menurunkan aktivitas protein fungsional SARS-CoV-2. Penelitian ini bertujuan memperoleh informasi mencakup (1) situs pengikatan ligan-protein; (2) nilai ΔG dan konstanta disosiasi; (3) ikatan hidrogen dan interaksi hidrofobik antar molekul; (4) karakteristik kimia senyawa aktif kulit kayu Gmelina. Penelitian ini menggunakan metode in silico melalui penambatan molekuler secara komputasi dengan aplikasi YASARA structure. Berdasarkan hasil penelitian, senyawa balanophonin memiliki pengikatan yang paling baik dibandingkan senyawa aktif kulit kayu Gmelina lainnya dengan nilai ΔG -7,1270 kkal/mol serta konstanta disosiasi 5,96 μM. Dengan demikian, simpulan penelitian ini senyawa aktif balanophonin dengan pengikatan terbaik memiliki nilai ΔG lebih besar dari uridin-5’-monofosfat dan tipiracil, yang merupakan ligan alami dan pembandingnya. Ikatan hidrogen serta interaksi hidrofobik antar molekul memfasilitasi penambatan dan inhibisi aktivitas endoribonuklease SARS-CoV-2., COVID-19 is caused by infection of SARS-CoV-2, the severity based on patient's immune system. Antioxidant activity in Gmelina bark potentiates to decrease activities of SARS-CoV-2 functional protein. This study aims to obtain information including (1) ligand-protein binding sites; (2) the value of G and the dissociation constant; (3) intermolecular hydrogen bonds and hydrophobic interactions; (4) Chemical properties of active compound in Gmelina bark. This research uses in silico method through computational molecular docking with the YASARA structure application. Based on the results, balanophonin has the best binding affinity to other active compounds of Gmelina bark with the value of ΔG -7,1270 kcal/mol and dissociation constant of 5.96 μM. Thus, this study concludes balanophonin with the best binding has a ΔG value which larger than uridine-5'-monophosphate and tipiracil as their natural and comparison ligand. Intermolecular hydrogen bonds and hydrophobic interactions facilitate the binding and inhibition of SARS-CoV-2 endoribonuclease activity.
Keyword: Molecular Docking, Gmelina arborea, Endoribonuclease, SARS-CoV-2

Judul: Implementation of Spatio-Temporal Change Query in Relational Database.
Abstrak: Geographic object changes in various views. Object changes are recorded using a model of static storage. No historical connection between old version data and new version data has been built. For that, a storage model of spatio-temporal queries that can analyze spatio-temporal changes has been developed. The object changes the geometry are grouped according to the taxonomy of Spatio-Temporal Pattern Change. This research has been able to apply the query patterns change including born, expand, merge, contract, split, normal and die. This query based on geometric (area) changes. The implementation of spatio-temporal change queries represents an object changes continuously with easy, change detection is done by comparing two versions of data. Keyword: spatio-temporal change query, spatio-temporal change pattern.
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