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: Virtual Screening Natural Polyphenol Compounds as Inhibitor of Matrix Metalloproteinase-1 for Anti Photoaging and Photocarcinogenesis
Abstrak: Matrix metalloproteinase-1 (MMP-1) menjadi enzim yang paling banyak dipicu aktivitasnya oleh sinar UV dan bertanggung jawab terhadap degradasi kolagen. Degradasi kolagen menjadi penyebab utama photoaging dan photocarcinogenesis. Berbagai senyawa aktif telah diteliti aktivitasnya sebagai inhibitor MMP-1, termasuk senyawa polifenol. Saat ini, lebih dari 8000 jenis polifenol telah diidentifikasi di berbagai tanaman dan belum semuanya diteliti. Penelitian ini bertujuan menyaring polifenol alami dari database sebagai inhibitor MMP-1 terbaik. Tahap awal penelitian yaitu dilakukan penapisan virtual 408 polifenol alami menggunakan PyRx dan prediksi bioavailabilitas serta toksisitas menggunakan pkCSM dan Protox online tool, dilanjutkan dengan penambatan molekuler menggunakan AutoDock Vina serta visualisasi 2D dengan LigPlot+ dan 3D dengan PyMol. Terdapat empat senyawa yang diprediksi potensial sebagai inhibitor MMP-1 untuk anti photoaging dan photocarcinogenesis, yaitu luteolinidin, hispidulin, demetoksikurkumin, dan kurkumin. Luteolinidin dan hispidulin menghambat dengan mengkelat Zn katalitik, sedangkan demetoksikurkumin dan kurkumin tanpa mengkelat Zn katalitik, tetapi membentuk interaksi lebih banyak pada kantong S1’. Demetoksikurkumin memiliki kemampuan menghambat terbaik dengan ΔG -10,0 kkal/mol, Ki 0,05 µM, dan BSS 66,77%., Matrix metalloproteinase-1 (MMP-1) is the enzyme that is mostly triggered by UV rays and it is responsible for collagen degradation. Degradation of collagen is the main cause of photoaging and photocarcinogenesis. Various active compounds have been studied for their activity as MMP-1 inhibitors, including polyphenol compounds. Recently, more than 8000 types of polyphenols have been identified in various plants and not all of them have been studied. The research aims to screen virtualy natural polyphenols from database as the best MMP-1 inhibitors. First step of the research is virtual screening of 408 natural polyphenols using PyRx and prediction of bioavailability also toxicity using pkCSM and Protox online tool, followed by molecular docking using AutoDock Vina and 2D visualization with LigPlot+ also 3D with PyMol. There are four compounds predicted as potential MMP-1 inhibitors for anti photoaging and photocarcinogenesis, such as luteolinidin, hispidulin, demethoxicurcumin, and curcumin. Luteolinidin and hispidulin are inhibit by chelating catalytic Zn, whereas demethoxycurcumin and curcumin do not chelate catalytic Zn, but they are form more interactions in the S1' pocket. Demethoxycurcumin has the best inhibitory ability with ΔG -10,0 kcal/mol, Ki 0,05 M, and BSS 66,77%.
Keyword: MMP-1, penapisan virtual, photoaging, photocarcinogenesis, polifenol alami

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