Please use this identifier to cite or link to this item: http://repository.ipb.ac.id/handle/123456789/105334
Title: Perbandingan Struktur 3D PfHT pada Sistem Air dan n-Hexane dengan Metode Pendekatan Simulasi Dinamika Molekul
Authors: Wahyudi, Setyanto Tri
Dahlan, Kiagus
Safitri, Noni
Issue Date: 2020
Publisher: IPB University
Abstract: Plasmodium falciparum Hexose Transporter (PfHT) adalah protein pembawa di bagian dalam membran fosfolipid bersifat hidrofobik yang memediasi glukosa ke dalam tubuh parasit. Penelitian ini bertujuan membandingkan struktur 3D PfHT dalam dua sistem berbeda dengan sistem n-Hexane sebagai pelarut nonpolar dan sistem air sebagai pelarut pembanding. Sebanyak 2 struktur tiga dimensi dari PfHT didapatkan dari hasil simulasi dinamika molekul selama 50 ns dan dianalisis dengan sembilan parameter: RMSD, RMSF, energi, jumlah ikatan hidrogen, struktur sekunder, SASA, visualisasi, plot Ramachandran, dan interaksi ionik. Hasil penelitian menunjukkan PfHT dalam sistem n-Hexane yang dibandingkan dengan sistem air, yaitu terdapat perubahan sebagian struktur α-helix serta muncul kemungkinan bahwa struktur tidak sepenuhnya hidrofobik, struktur dinilai baik dari segi energinya yang rendah, kualitas struktur didapatkan kurang sesuai sebagai pelarut tunggal karena ada kemungkinan bahwa sebagian struktur PfHT terletak pada bagian luar membran fosfolipid bilayer yang bersifat hidrofilik.
Plasmodium falciparum Hexose Transporter (PfHT) is a carrier protein inside the hydrophobic phospholipid membrane that mediates glucose into the parasite body. This study aims to compare the 3D structure of PfHT in two different systems with the n-Hexane system as a nonpolar solvent and the water system as the comparative solvent. A total of 2 three-dimensional structures from PfHT were obtained from the molecular dynamics simulations for 50 ns and analyzed using nine parameters: RMSD, RMSF, energy, number of hydrogen bonds, secondary structure, SASA, visualization, Ramachandran plot, and ionic interactions. The results showed PfHT in the n-Hexane system compared to the water system, namely that there was a change in part of the α-helix structure, the possibility also arose that the structure was not entirely hydrophobic, the structure was considered acceptable in terms of its low energy, and the quality of the structure was found to be less suitable as a single solvent, mainly because there is a possibility that some parts of the PfHT structure actually lie on the outside of the hydrophilic phospholipid bilayer membrane.
URI: http://repository.ipb.ac.id/handle/123456789/105334
Appears in Collections:UT - Physics

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Cover, Lembar Pernyataan, Abstrak, Lembar Pengesahan, Prakata, Daftar Isi, Daftar Tabel, Daftar Gambar, Daftar Lampiran.pdf
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G74160044_Noni Safitri.pdf
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