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Title: | Telaah Interaksi Bestatin dan Aminopeptidase N3 pada Toxoplasma gondii secara In Silico |
Other Titles: | Study of the Interaction of Bestatin and Aminopeptidase N3 in Toxoplasma gondii by In Silico |
Authors: | Mas'ud, Zainal Alim Irfana, Luthfan Muttaqin, Qolbi |
Issue Date: | 2021 |
Publisher: | IPB University |
Abstract: | Toxoplasma gondii telah menginfeksi sebanyak 30% populasi mamalia di
dunia. Parasit ini jika menginfeksi wanita hamil dapat menimbulkan kebutaan,
retardasi mental, bahkan kematian pada janin. Di Amerika selatan ditemukan isolat
tipe baru T. gondii yang resistan terhadap berbagai macam obat anti-T. gondii. T.
gondii Aminopeptidase N3 (TgAPN3) merupakan target potensial penambatan
molekul yang memilki spesifitas tertinggi pada asam amino alanin. Ligan 4
memiliki stabilitas ikatan lebih baik dibanding ligan 9 pada TgAPN3 karena adanya
ikatan koordinasi dengan ion zink yang berperan kuat dalam interaksi protein-ligan.
Ligan A10 merupakan kandidat obat anti-T. gondii terbaik dengan terminal C
mengandung elektron terkonjugasi, rantai siklik, dan non polar. Konfigurasi ligan
A10 terbaik diperoleh dengan adanya kesesuaian bagian hidrofobisitas dengan
TgAPN3 serta interaksi intramolekul antar rantai hidrofobik yang juga ditemukan
pada ligan A1, A4, dan A6. Toxoplasma gondii has infected 30% of the world's mammal population. If this parasite infects pregnant women, can cause blindness, mental retardation, and death in the fetus. In South America, isolates of a new type of T. gondii were found that were resistant to various anti-T. gondii drugs. T. gondii Aminopeptidase N3 (TgAPN3) is a potential target for molecular docking that has the highest specificity for the alanine amino acid. Ligand 4 has better bond stability than ligand 9 in TgAPN3 because of the coordination bonds with zinc ions which play a strong role in protein-ligand interactions. Ligand A10 is the best candidate for the anti-T. gondii drug with a C terminal containing conjugated electrons, cyclic chain, and non-polar. The best configuration of the ligand A10 was obtained by the suitability of the hydrophobicity section with TgAPN3 and the intramolecular interactions between hydrophobic chains which were also found in the ligands A1, A4, and A6. |
URI: | http://repository.ipb.ac.id/handle/123456789/107820 |
Appears in Collections: | UT - Chemistry |
Files in This Item:
File | Description | Size | Format | |
---|---|---|---|---|
Cover, Lembar Pengesahan, Prakata, dan Daftar Isi.pdf Restricted Access | Cover | 663.3 kB | Adobe PDF | View/Open |
G44170066_Qolbi Muttaqin.pdf Restricted Access | Fullteks | 1.39 MB | Adobe PDF | View/Open |
Lampiran.pdf Restricted Access | Lampiran | 1 MB | Adobe PDF | View/Open |
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