Judul: Uji Potensi Inhibisi Ekstrak Daun Sirih Merah terhadap Lipase Pankreas sebagai Antiobesitas secara In Silico
Abstrak: Obesitas menjadi pemicu munculnya berbagai penyakit degeneratif, seperti stroke, jantung, diabetes tipe 2, dan resistensi insulin. Inhibitor lipase pankreas merupakan agen obat antiobesitas dengan kerja menginhibisi enzim lipase pankreas. Penelitian ini bertujuan melakukan pencarian dan prediksi aktivitas inhibisi terhadap lipase pankreas dari senyawa aktif daun sirih merah. Penelitian dimulai dengan penapisan virtual 60 ligan uji, prediksi stabilitas dan toksisitas ligan, validasi penambatan molekuler, penambatan molekuler, dan visualisasi 2D serta 3D. Hasil menunjukkan bahwa benzethonium octyloxyacetate, hydroxybenzoic acid β-D-glucosyl ester, dan anthocyanins memiliki potensi terbaik dalam menginhibisi enzim lipase pankreas berdasarkan penapisan virtual, stabilitas ligan, toksisitas ligan, energi afinitas, jumlah ikatan hidrogen dengan sisi aktif, jarak ikatan, dan konstanta inhibisi (Ki). Benzethonium octyloxyacetate memiliki nilai afinitas sebesar -8 kkal/mol, memiliki interaksi ikatan hidrogen pada residu His349 sisi aktif reseptor lipase pankreas (6KSM) dengan jarak ikatan 2,94 Å, dan nilai Ki sebesar 1,347 μM., Obesity triggers the emergence of various degenerative diseases, such as stroke, heart disease, type 2 diabetes, and insulin resistance. Pancreatic lipase inhibitors are anti-obesity drug agents that work by inhibiting pancreatic lipase enzymes. This study aims to search and predict the inhibitory activity of pancreatic lipase from the active compound of red betel leaf. The research began with virtual screening of 60 test ligands, prediction of ligand stability and toxicity, validation method of molecular docking, molecular docking, 2D and 3D visualization. The results showed that benzethonium octyloxyacetate, hydroxybenzoic acid β-D-glucosyl ester, and anthocyanins had the best potential in inhibiting pancreatic lipase enzymes based on virtual screening, ligand stability, ligand toxicity, energy affinity, number of hydrogen bonds with active site, bond distance, and constants inhibition (Ki). Benzethonium octyloxyacetate has an affinity value of -8 kcal/mol, has a hydrogen bond interaction on the His349 residue on the active site of the pancreatic lipase receptor (6KSM) with a bond distance of 2,94 Å and Ki value of 1,347 μM.
Keyword: molecular docking, pancreatic lipase, obesity, red betel

Judul: Potensi Senyawa Aktif Serai Wangi (Cymbopogon nardus) sebagai Antiobesitas melalui Penghambatan Lipase Pankreas  In Silico
Abstrak: Obesitas telah menjadi permasalahan gizi yang mendunia. Kejadian ini ditandai oleh IMT ≥ 30 kg/m2. Kandungan β-sitronelal dan β-sitronelol dalam serai wangi pada penelitian in vivo terbukti dapat menurunkan berat badan melalui peningkatan aktivitas saraf simpatik yang berdampak pada penurunan nafsu makan, namun potensinya sebagai inhibitor lipase pankreas in silico belum diketahui. Penelitian ini bertujuan menguji potensi senyawa aktif serai wangi sebagai inhibitor HPL 1LPB in silico. Metode yang digunakan yaitu preparasi protein dan ligan, validasi gridbox, penapisan virtual, visualisasi interaksi residu asam amino, serta analisis bioavailabilitas dan toksisitas. Hasil penelitian menunjukan bahwa sebanyak 26 dari 47 ligan uji hasil studi literatur dan analisis LCMS diketahui memiliki kemampuan yang baik dalam menghambat lipase pankreas (Kode: 1LPB) dibandingkan dengan MUP berdasarkan parameter energi ∆G, Kd, dan %BSS. Ligan uji apigenin-8-C-glucoside yang termasuk ke dalam golongan senyawa fenolik merupakan ligan yang memiliki penghambatan paling kuat dengan nilai ∆G -8,326 kkal/mol, Kd 0,78 µM dan %BSS sebesar 93% serta memenuhi analisis bioavailabilitas dan toksisitas. Oleh karena itu serai wangi diprediksi memiliki potensi sebagai antiobesitas melalui penghambatan lipase pankreas dan aman apabila dikembangkan menjadi kandidat obat., Obesity has been one of nutrient problems in the world. This is indicated by IMT ≥ 30 kg/m2. The component of β-citronellal and β-citronellol in serai wangi, based on this research in vivo discovered that it can reduced the weight through incresing sympathic neuron causing the reducing of apatite, yet its potency as inhibitor as pancreatic lipase in silico was not proved. The research is intended for testing the potency of active compounds of Serai Wangi as inhibitor of HPL 1PLB in silico. The method applied was protein and ligan preparation, gridbox validation, virtual screening, amino acid visualization interaction, with bioavailability and toxicity analysis. The research found that the number of 26 from 47 Ligan as the result of literature study and LCMS analysis was discovered having good ability in inhabiting pancreatic lipase (code: 1LPB) compared with MUP based on ∆G, Kd, dan %BSS parameters. Ligand of apigenin-8-C glucoside belongs to phenolic compounds as the most potential ligan in inhabiting pancreatic lipase with the value ∆G -8,326 kcal/mol, Kd 0,78 μM and % BSS up to 93% and fulfilling bioavailability and toxicity analysis. That is why serai wangi was predicted having the potency of antiobesity through inhabiting pancreatic lipase and safe for candidate medicine.
Keyword: Obesity, pancreatic lipase, serai wangi, in silico

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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