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: In Silico Inhibition of Acetyl-CoA carboxylase by the Active Compounds of Gambir Sap Plant  (Uncaria gambir Roxb.)
Abstrak: Peningkatan berat badan yang tidak terkontrol dapat mengarah kepada penyakit obesitas. Asetil-KoA karboksilase berperan dalam sintesis asam lemak secara de novo sehingga menjadi salah satu protein target untuk mengurangi akumulasi lemak berlebih. Penelitian ini bertujuan mengidentifikasi senyawa aktif yang terdapat pada getah tanaman gambir menggunakan LC-MS/MS QTOF dan memprediksi kemampuannya sebagai inhibitor asetil-KoA karboksilase. Analisis senyawa aktif getah tanaman gambir dilakukan menggunakan LC-MS/MS QTOF dan prediksi kemampuannya sebagai inhibitor asetil-KoA karboksilase dilakukan secara in silico. Sebanyak 15 senyawa aktif berhasil diidentifikasi. Penapisan secara in silico: penambatan molekuler, bioavailabilitas dan toksisitas menghasilkan 5 senyawa potensial sebagai inhibitor asetil-KoA kabroksilase. Simpulan penelitian ini yaitu senyawa 3-[(2E)-2-(2-Hydroxy-5-nitrobenzylidene)hydrazino]-6-methyl-1,2,4-triazin-5-ol direkomendasikan sebagai inhibitor asetil-KoA karboksilase dengan farmakokinetik terbaik. Senyawa D-(+)-catechin dan (+)-epicatechin adalah senyawa mayor pada gambir yang memiliki potensi untuk menginhibisi aktivitas asetil-KoA karboksilase., Uncontrolled weight gain can lead to obesity. The acetyl-CoA carboxylase played a role in the de novo synthesis of fatty acids, so it became one of the target proteins to reduce excess fat accumulation. This study aimed to identify the active compounds of the gambir sap plant using LC-MS/MS QTOF and predicted their ability to inhibit acetyl-CoA carboxylase activity. The active compounds were analyzed using LC-MS/MS QTOF, and prediction of their ability as inhibitors of the acetyl-CoA carboxylase was carried out in silico. A total of 15 active compounds were successfully identified using LC-MS/MS QTOF. In silico screening: molecular docking, bioavailability and toxicity test resulted 5 potential compounds as inhibitor of acetyl-CoA carboxylase. This research concluded that the compound 3-[(2E)-2-(2-Hydroxy-5-nitrobenzylidene)hydrazino]-6-methyl-1,2,4-triazine-5-ol was recommended as a potential inhibitor of acetyl-CoA carboxylase with its good pharmacokinetics. D-(+)-catechin and (+)-epicatechin were both major compounds discovered in the gambir sap plant, which showed their potential as inhibitors of the acetyl-CoA carboxylase.
Keyword: asetil-KoA karboksilase, inhibitor, in silico, Uncaria gambir Roxb.

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%
Keyword: