Please use this identifier to cite or link to this item:
http://repository.ipb.ac.id/handle/123456789/108725
Full metadata record
DC Field | Value | Language |
---|---|---|
dc.contributor.advisor | Kurniatin, Popi Asri | - |
dc.contributor.advisor | Purwanto, Ukhradiya Magharaniq Safira | - |
dc.contributor.author | Putri, Fadhilah Eka | - |
dc.date.accessioned | 2021-08-24T14:01:14Z | - |
dc.date.available | 2021-08-24T14:01:14Z | - |
dc.date.issued | 2021 | - |
dc.identifier.uri | http://repository.ipb.ac.id/handle/123456789/108725 | - |
dc.description.abstract | Penyebab terjadinya karies gigi yaitu plak yang berada pada permukaan gigi dalam bentuk biofilm. Bakteri Streptococcus mutans berperan dalam pembentukan biofilm dan menghasilkan enzim glukosiltransferase yang dapat mengkatalisis pembentukan ekstra polisakarida. Beberapa senyawa flavonoid diketahui dapat menghambat sintesis biofilm. Oleh karena itu, senyawa flavonoid berpotensi untuk dikembangkan sebagai antibiofilm untuk pencegahan karies gigi. Penelitian ini bertujuan menentukan senyawa flavonoid dari penapisan virtual terhadap inhibisi glukosiltransferase pada S. mutans sebagai antibiofilm melalui penambatan molekuler dengan mempertimbangkan nilai energi bebas ikat, jenis pengikatan dan residu katalitik. Metode yang digunakan adalah preparasi ligan dan reseptor, penapisan virtual dan penambatan molekuler. Hasil penapisan virtual dari 87 senyawa flavonoid, diperoleh 36 senyawa yang dapat menginhibisi glukosiltansferase. Hasil penambatan molekuler menunjukkan 9 ligan yang dapat menghambat glukosiltransferase dengan nilai energi bebas ikat lebih negatif dari ligan alami (maltosa). Likuiritigenin memiliki ΔG paling negatif yaitu -7,0 kkal/mol dan nilai Ki 7,39 µM. 9 ligan memiliki jenis pengikatan terbaik pada enzim glukosiltransferase. Senyawa yang berikatan pada 3 residu katalitik enzim glukosiltransferase yaitu taksifolin, gallokatekin, sakuranetin sedangkan 6 senyawa lain berikatan pada 2 residu katalitik. | id |
dc.description.abstract | The cause of dental caries is plaque that is on the dental surface in the form of a biofilm. Streptococcus mutans bacteria play role in the formation of biofilms and produce glucosyltransferase enzyme that can catalyze the formation of extra polysaccharides. Several flavonoid compounds are known to inhibit biofilm synthesis. Therfore, flavonoid compounds have the potential to be developed as antibiofims for the prevention of dental caries. This research aims to determine polyphenolic compounds from virtual screening against glucosyltransferase inhibition in S. mutans as an antibiofilm through molecular docking by considering the value of binding free energy, type of binding and catalytic residue. The methods used are ligand and receptor preparation, virtual screening and molecular docking. The results of virtual screening of 87 polyphenolic compounds, obtained 36 compounds that could inhibit glucosyltransferase. Molecular docking results showed 9 ligans that could inhibit glucosyltransferase with binding free energy value more negative than the native ligand (maltose). Liquiritigenin has the most negative ΔG which is -7,0 kkal/mol and Ki value of 7,39 µM. Compounds that bind to 3 catalytic residues of glucosyltransferase enzyme are taxifolin, gallocatechin, sakuranetin while 6 other compounds bind to 2 catalytic residues. | id |
dc.language.iso | id | id |
dc.publisher | IPB University | id |
dc.title | Penambatan Molekuler Senyawa Flavonoid terhadap Inhibisi Glukosiltransferase Streptococcus mutans sebagai Antibiofilm | id |
dc.title.alternative | Molecular Docking of Flavonoid Compounds Against Streptococcus mutans Glucosyltransferase Inhibition as Antibiofilm | id |
dc.type | Undergraduate Thesis | id |
dc.subject.keyword | biofilm | id |
dc.subject.keyword | glucosyltransferase | id |
dc.subject.keyword | molecular docking | id |
dc.subject.keyword | S. mutans | id |
Appears in Collections: | UT - Biochemistry |
Files in This Item:
File | Description | Size | Format | |
---|---|---|---|---|
Cover_Lembar Pengesahan_Prakata_Daftar Isi.pdf Restricted Access | Cover | 963.68 kB | Adobe PDF | View/Open |
G84170009_Fadhilah Eka Putri.pdf Restricted Access | Fullteks | 1.54 MB | Adobe PDF | View/Open |
Lampiran_Fadhilah Eka Putri.pdf Restricted Access | Lampiran | 919.28 kB | Adobe PDF | View/Open |
Items in DSpace are protected by copyright, with all rights reserved, unless otherwise indicated.