Judul: Molecular Docking of Javanese Long Pepper (Piper retrofractum) Active Compound as Acetyl-CoA Carboxylase Inhibitor
Abstrak: Peningkatan lipogenesis de novo secara kronis perlu dihambat karena dikaitkan dengan berbagai penyakit dan gangguan. Asetil-KoA karboksilase (ACC) merupakan enzim penentu laju dalam lintasan tersebut. Senyawa aktif dalam cabai jawa terbukti mampu menurunkan aktivitas enzim ACC. Penelitian ini bertujuan mengidentifikasi senyawa aktif cabai jawa yang dapat menghambat asetil-KoA karboksilase melalui studi penambatan molekuler serta menganalisis interaksi molekuler yang terbentuk. Senyawa aktif cabai jawa diseleksi melalui penapisan virtual menggunakan perangkat lunak YASARA Structure, prediksi kemiripan dengan obat, serta prediksi farmakokinetik dan toksisitas. Sejumlah empat senyawa aktif dalam cabai jawa lolos pada semua tahap penyaringan sehingga berpotensi menghambat ACC. Potensi terbaik ditunjukkan oleh ligan uji N-sinamoilpiperidin. N-sinamoilpiperidin memiliki nilai ΔG yang paling negatif (-7,930 kkal mol-1) dan nilai Kd yang paling kecil (1,538979 μM) di antara empat ligan yang lolos. Interaksi N-sinamoilpiperidin dengan reseptor juga paling serupa dengan ligan alami dengan 11 residu memiliki tipe interaksi sama dan 2 di antaranya merupakan residu penting., Chronic increases in de novo lipogenesis should be inhibited because they have been associated with a wide variety of diseases and disorders. Acetyl-CoA carboxylase (ACC) is the rate-limiting enzyme in this pathway. The active compounds in javanese long pepper have been shown to reduce the activity of ACC. This research aims to identify the active compounds of javanese long pepper that can inhibit acetyl-CoA carboxylase through a molecular docking study and analyze the molecular interactions formed. The active compounds of javanese long pepper were selected through virtual screening using YASARA Structure software, prediction of drug-likeness, pharmacokinetics, and toxicity. Four active chemicals of javanese long pepper passed all levels of screening, showing that they have the potential to inhibit ACC. The best potency was shown by N-cinamoylpiperidine. N-cinnamoylpiperidine had the most negative ΔG value (-7,930 kcal mol-1) and the lowest Kd value (1,538979 M) among the four screened ligands. N-cinnamoylpiperidine interaction with the receptor was also most similar to the native ligand with 11 residues exhibiting the same type of interaction and two of them are important residues.
Keyword: acetyl-CoA carboxylase, javanese long pepper, molecular docking

Judul: Identifikasi Senyawa Aktif Lengkuas (Alpinia galanga) Dengan LC-MS dan Potensinya Sebagai Inhibitor Lipase Pankreas Secara In Silico
Abstrak: Prevalensi penderita obesitas yang terus meningkat setiap tahunnya, serta risiko komplikasi yang ditimbulkan membuat perhatian besar saat ini. Orlistat berefek buruk karena sifatnya yang bekerja dengan menginhibisi enzim lipase pankreas secara ireversibel. Lengkuas banyak ditemukan di Indonesia diketahui dapat berperan sebagai antiobesitas. Penelitian ini bertujuan mengidentifikasi senyawa aktif lengkuas yang berpotensi memiliki aktivitas inhibisi enzim lipase pankreas dengan menggunakan YASARA. Senyawa aktif lengkuas diekstrak menggunakan etanol 70% dan diidentifikasi menggunakan LC-MS/MS QToF serta dilakukan studi pustaka. Sebanyak 8 senyawa berhasil diidentifikasi menggunakan LC-MS/MS QToF dan termasuk golongan polifenol, fenolik, terpen, dan flavonoid, serta terdapat 38 senyawa yang hasil studi pustaka. Terdapat 4 senyawa aktif lengkuas memiliki potensi antiobesitas dengan empat yang terbaik yaitu, galangin, galaganol C, isorhamnetin, dan kampferide. Galangin menjadi senyawa yang paling potensial menjadi kandidat antiobesitas pada tanaman lengkuas., The prevalence of obesity, which continues to increase every year, as well as the risk of complications caused by it, is of great concern today. Orlistat has adverse effects because it works by irreversibly inhibiting the pancreatic lipase. Galangal, found in Indonesia, is known to act as an antiobesity agent. This study aimed to identify active compounds of galangal that have the potential to inhibit pancreatic lipase using YASARA. The active compounds of galangal were extracted using 70% ethanol and identified using LC-MS/MS QToF and literature study. A total of 8 compounds were successfully identified using LC-MS/MS QToF and included polyphenols, phenolics, terpenes, and flavonoids, and there were 38 compounds from literature studies. There are 4 active compounds that have antiobesity potential with the four best ones, namely, galangin, galaganol C, isorhamnetin, and kaempferol. Galangin is the most potential compound to be an antiobesity candidate in galangal plants.
Keyword: Alpinia galanga, pancreatic lipase, antiobesity, molecular docking

Judul: Pembuatan Sel Surya Berbasis Film Ferroelektrik Barium Strontium Titanate (Ba0,5Sr0,5TiO3)
Abstrak: Growth of films Ba0,5Sr0,5TiO3 (BST) 1 M has been done with variation of annealing in hold time 8 hours, 15 hours, 22 hours, and 29 hours at constant temperature 8500C, above Si (100) substrate p-type, by using the sol-gel process method which followed with spin coating process at 3000 rpm for 30 seconds. Optics spectroscopy shows that BST film solar cells with annealing hold time 8 hours, 15 hours, and 22 hours, works effectively in wavelength ≥ 700 nm absorption range. Yet for sample with annealing hold time about 29 hours effectively absorb in ≤ 700 nm wavelength range. It obtained BST film refractive index at range 2.0 to 7.0 to wavelength range ±370-870 nm. Band gap BST film value based on annealing hold time 8 hours, 15 hours, 22 hours, and 29 hours respectively 2.60 eV; 3.12 eV: 3.24 eV, and 2.66 eV. Electrical conductivity value which obtained, indicate that the BST film is classified as semiconductor material with conductivity order 10-5-10-4 S / cm. The result of I-V photovoltaic characterization shows the BST film potentially to be a solar cells device with efficiency according to the annealing hold time 8 hours, 15 hours, 22 hours, and 29 hours in a row are 2.68x10-5%, 3.51x10-5%, 4.53x10-5% and 3.22x10-5%
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