<![CDATA[Abstract. Human Immunodeficiency Virus (HIV) type 1 is an HIV virus that most often attacks the human body's immunity and is easy to mutate. A total of 37.9 million people according to the World Health Organization (WHO) were infected in 2018 with high levels of mortility and morbidity. Drug search research continues to be carried out, one of which is research on HIV protease which is an enzyme that has a role in the process of cutting polyprotein chains on the gag and gag-pol sides as the formation of new viroin. Myricetin is a flavonoid compound from the chives plant (Allium tuberosum). Compound design research has been carried out, molecular tethering using Autodock software obtained the best bond-free energy value in myricetin compounds of -8.10 kcal / mol compared to curcumin compounds of -9.60 kcal / mol, previously validated to calibrate the docking method, rmsd value obtained was 1.14Å, analysis of docking results using Biovia Discovery Studio Visualizer 2021, toxicity test using the preADME website in silico against Flavonoid derivative compounds, based on toxicity tests obtained the results of myricetin with mutagenicity against ames test, are negative against the carcinogenicity of mice or rats and are toxic to algae plants. Abstrak. Human Immunodefisiensi Virus (HIV) tipe 1 adalah virus HIV yang paling sering menyerang kekebalan tubuh manusia dan mudah untuk bermutasi. Sebanyak 37,9 juta orang menurut World Health Organization (WHO) terinfeksi pada tahun 2018 dengan tingkat mortilitas dan morbiditas yang tinggi. Penelitian pencarian obat terus dilakukan salah satunya penelitian terhadap protease HIV yang merupakan enzim yang memiliki peran pada proses pemotongan rantai poliprotein pada sisi gag dan gag-pol sebagai pembentukan viroin yang baru. Myricetin merupakan senyawa flavonoid dari tumbuhan kucai (Allium tuberosum). Telah dilakukan penelitian desain senyawa, penambatan molekular menggunakan software Autodock diperoleh nilai energi bebas ikatan terbaik pada senyawa myricetin sebesar -8,10 kcal/mol dibandingkan dengan senyawa kurkumin sebesar -9,60 kcal/mol, sebelumnya dilakukan validasi untuk mengkalibrasi metode docking, nilai RMSD yang diperoleh sebesar 1,14Å, analisis hasil docking menggunakan Biovia Discovery Studio Visualizer 2021, uji toksisitas menggunakan website preADME secara in silico terhadap senyawa turunan flavonoid, berdasarkan uji toksisitas diperoleh hasil myricetin bersitas mutagen terhadap ames test, bersifat negatif terhadap karsinogenitas mencit atau tikus dan bersifat toksik terhadap tumbuhan algae.]]>
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