Abstract
Osteoporosis is a degenerative disease due to the reduction of mass or bone tissue so that the bones become brittle. One of the causes of the fragility of bone is the formation of free radicals due to oxidative stress by reactive oxygen species (ROS). ROS can stimulate bone resorption. Lycopene is a compound contained in tomatoes found in large quantities. Lycopene is known to have strong antioxidant activity. The purpose of this research is to know the activity of lycopene as antiosteopotosis from tomato fruit through antioxidant mechanism using molecular docking method in silico. The stages of this research are preparation of 3D lycopene structure database and SOD and GPx protein, protein preparation using Chimera 1.10.1 application, optimization of lycopene 3D structure using HyperChem 8 application, and validation of molecular docking and lycopene docking methods on the proteins using Autodock application 4.2. The results showed that lycopene was able to interact with SOD and GPx proteins shown by negative bond energy, ie -0.75 and -1,61 kcal mol respectively. These interactions show that lycopene can neutralize free radicals by inducing SOD and GPx proteins so that oxidative stress triggering the bone resorption which as one of the causes of osteoporosis can be prevented
Highlights
Osteoporosis is a degenerative disease due to the reduction of mass or bone tissue so that the bones become brittle
The results showed that lycopene was able to interact with SOD and GPx proteins shown by negative bond energy, ie -0.75 and -1,61 kcal mol respectively
Buah Tomat (Lycopercium pyriforme) pada Berbagai Tingkat Kematangan: Pengaruh Pelapisan dengan Kitosan dan Penyimpanan, Jurnal Teknologi
Summary
Salah satu penyebab semakin rapuhnya tulang adalah terbentuknya radikal bebas akibat stress oksidatif oleh reactive oxygen species (ROS). Tujuan dari penelitian ini adalah untuk mengetahui aktivitas antiosteopotosis likopen dari buah tomat melalui mekanisme antioksidan menggunakan metode molecular docking secara in silico. Tahapan penelitian yang dilakukan adalah penyiapan database struktur 3D likopen serta protein Super oxide Dismutase (SOD) dan Gluthation Peroxidase (GPx), preparasi protein menggunakan aplikasi Chimera 1.10.1, optimasi struktur 3D likopen menggunakan aplikasi HyperChem 8, serta validasi metode molecular docking dan docking likopen pada protein-protein tersebut menggunakan aplikasi Autodock 4.2. Hasil penelitian menunjukkan bahwa likopen mampu berinteraksi dengan protein SOD dan GPx yang ditunjukkan oleh energi ikatan yang bernilai negatif, yaitu berturut-turut -0,75 dan -1,61 kkal/mol. Interaksi tersebut menunjukkan bahwa likopen mampu menetralkan radikal bebas dengan cara menginduksi protein SOD dan GPx sehingga stress oksidatif pemicu terjadinya resorpsi tulang yang merupakan salah satu penyebab terjadinya osteoporosis dapat dicegah
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