Judul: Molecular Dynamics Simulation of Demethoxycurcumin with Matrix Metalloproteinase-1 for Anti Photoaging and Photocarcinogenesis.
Abstrak: Radiasi sinar matahari (UV) menyebabkan photoaging dan photocarcinogenesis seperti melanoma melalui aktivasi Matrix metalloproteinase- 1 (MMP-1). MMP-1 adalah endopeptidase ekstraseluler yang aktivitasnya paling banyak dipicu paparan sinar UV dan bertanggung jawab dalam mendegradasi kolagen fibril tipe I dan tipe III pada kulit. Demetoksikurkumin merupakan salah satu polifenol alami kelompok kurkuminoid yang yang berpotensi secara in silico sebagai inhibitor MMP-1 melalui metode penambatan molekul untuk anti photoaging dan photocarcinogenesis. Penelitian bertujuan menguji stabilitas interaksi reseptor-ligan dan mengetahui mekanisme inhibisi senyawa demetoksikurkumin dengan MMP-1 hasil penambatan molekul menggunakan simulasi dinamika molekul. Simulasi MD yang berlangsung selama 10 ns mengindikasikan kestabilan pengikatan demetokskikurkumin pada sisi katalitik dan kantong S1’ MMP-1 dan terjadi stabilisasi struktur MMP-1 berdasarkan nilai RMSD, Rg, SASA, jumlah ikatan hidrogen, RMSF, dan energi ikat MM-PSA., Sun radiation (UV) causes photoaging and photocarcinogenesis such as melanoma through activation of Matrix metalloproteinase-1 (MMP-1). MMP-1 is an extracellular endopeptidase whose activity is most triggered by UV exposure and is responsible for degrading type I and type III fibril collagen in the skin. Demethoxycurcumin is one of the natural polyphenols of the curcuminoid group that has the potential in silico as MMP-1 inhibitor through the molecular docking method for anti photoaging and photocarcinogenesis. The study aimed to test the stability of receptor-ligand interactions and find out the inhibition mechanism of demetoxycorquine compounds with MMP-1 molecular tether results using molecular dynamics simulations. Md simulations lasting for 10 ns indicate the stability of detoxcuff binding on the catalytic side and pockets of S1' MMP-1 and stabilization of MMP-1 structures based on RMSD, Rg, SASA values, the number of hydrogen bonds, RMSF, and MM-PSA binding energy.
Keyword: Photoaging, Photocarcinogenesis, Demetoksikurkumin, Matrix metalloproteinase-1

Judul: Penambatan Molekuler Senyawa Aktif Temu Kunci (Boesenbergia pandurata) Sebagai Inhibitor Matrix Metalloproteinase-1
Abstrak: Matrix metalloproteinase-1 (MMP-1) merupakan enzim pendegradasi kolagen yang aktivitasnya dipicu oleh sinar ultraviolet (UV). MMP-1 memiliki pengaruh langsung dalam photoaging, sehingga diperlukan inhibitor untuk menghambat aktivitas MMP-1 untuk mencegah penuaan kulit. Temu kunci (Boesenbergia pandurata) diketahui memiliki senyawa aktif yang potensial dalam menghambat penuaan kulit, namun potensi dari masing-masing senyawa bioaktif temu kunci sebagai inhibitor MMP-1 secara in silico belum diketahui. Penelitian ini bertujuan menguji potensi tanaman temu kunci sebagai inhibitor MMP-1 melalui penambatan molekuler dan analisis jenis interaksi yang terbentuk. Pada tahap awal, senyawa aktif temu kunci diseleksi melalui penapisan virtual menggunakan YASARA Structure serta prediksi bioavailabilitas dan toksisitas melalui pkCSM dan Protox online tool. Selanjutnya, dilakukan penambatan molekuler menggunakan YASARA Structure serta visualisasi 2D dan 3D menggunakan Discovery Studio Visualizer. Sebanyak enam ligan terbaik dipilih sebagai kandidat terbaik berdasarkan hasil penapisan virtual, prediksi bioavailabilitas, serta prediksi toksisitas. Ligan-ligan uji tersebut meliputi helichrysetin, panduratin D, pinocembrin chalcone, cardamonin, 5,7-dimethoxyflavone, dan tectochrysin. Hasil terbaik penambatan molekuler ditunjukkan oleh tectochrysetin dengan nilai ΔGbind sebesar -9,59 kkal/mol dan Kd sebesar 0,094 μM., Matrix metalloproteinase-1 (MMP-1) is a collagen-degrading enzyme whose activity is triggered by ultraviolet (UV) light. MMP-1 has a direct effect on photoaging, so an inhibitor is needed to inhibit MMP-1 activity to prevent skin aging. Fingerroot (Boesenbergia pandurata) are known to have active compounds that have the potential to inhibit skin aging. However, there is no study regarding the potency of each fingerroot bioactive compound as MMP-1 inhibitor through in silico research yet. This study aims to test the potential of fingerroot as an MMP-1 inhibitor through molecular docking and analysis of the types of interactions formed. In the early stages, the active compounds of fingerroot were selected through virtual screening using the YASARA Structure and checked for bioavailability and toxicity prediction through pkCSM and Protox online tools. The ligand selected were subjected to molecular docking using YASARA Structure and 2D and 3D visualization using Discovery Studio Visualizer. Six ligands were selected as best candidate based on virtual screening, bioavailability, and toxicity result. Those ligands are helichrysetin, panduratin D, pinocembrin chalcone, cardamonin, 5,7-dimethoxyflavone, dan tectochrysin. The best results are shown by tectochrysetin with -9,59 kcal/mol ΔGbind score dan Kd 0,094 μM.
Keyword: fingerroot, MMP-1, molecular docking, photoaging, YASARA Structure

Judul: Analisis Kelayakan usaha Burung Lovebird (Agapornis) studi Kasus: Usaha Bapak Tono di Tuban, Jawa Timur
Abstrak: Lovebird (Agapornis) is a commodity that is just entering the domestic market and abroad several years with a competitive advantage in the national economy. One breeder in Tuban is Mr. Tono’s. The opportunity to meet the demand of collectors and hobbyists has encouraged to conduct business. The purpose of this study was to analyze the feasibility of raising Lovebird of Mr. Tono’s business in terms of nonfinancial and financial aspects. Data processing was done qualitatively and quantitatively. Based on the results of the analysis of non-financial aspects Mr. Tono’s business was feasible because there are no obstacles in the market aspects, technical aspects, management aspects, legal aspects, environmental and social aspects. Meanwhile, according to the calculation of the financial aspects Mr. Tono’s business was feasible with NPV value of Rp1 717 985 715.50, Net B/C of 3.132 , IRR of 53.46 percent, and a payback period 3 years 8 month 18 days.
Keyword: Bogor Agricultural University (IPB), investment criteria, non-financial analysis, change