Electronic Theses and Dissertation

Penggunaan bahan alami dalam perawatan gigi seperti tradisi “manginang” yang telah menjadi budaya
masyarakat Minang dianggap sebagai salah satu alternatif perawatan gigi alami yang perlu dikembangkan dalam
mengatasi dampak buruk perawatan gigi dari bahan sintetetik. Tujuan penelitian ini yaitu untuk mengkonfirmasi
tradisi “menginang” menuju pembuktian secara ilmiah melalui skrining senyawa bioaktif biji pinang (Areca catechu
L) sebagai antibiofilm terhadap bakteri Streptococcus mutans. Penelitian ini dilakukan melalui pendekatan metode in
silico, diawali dengan pengumpulan data ligan berupa senyawa bioaktif biji pinang yang telah dilaporkan dari sumber
literatur terpercaya, sedangkan data reseptor antibiofilm adalah enzim glucosyltransferase (Gtf) bakteri S. mutans
yang didownload dari www.pdb.org (pdb id. 3AIC). Semua data ligan dikonversi ke format SMILE, 2D dan 3D
mengikuti algoritma website maupun aplikasi yang digunakan. Selanjutnya dilakukan penentuan aktivitas antibiofilm
menggunakan teknik QSAR melalui website (http://www.way2drug.com/PASSOnline/predict.php). Senyawa dengan
antibiofilm terpilih dilanjutkan pemgamatan afinitasnya terhadap reseptor melalui teknik Molecular Docking
menggunakan aplikasi Arguslab MOE 2009. Terakhir diamati profil farmakokinetika dan toksisitas ligan. Potensi
antibiofilm 35 senyawa bioaktif biji pinang (Areca catechu L.) terhadap enzim glucosyltransferase melalui teknik
QSAR Way2Drug/PASS diperoleh 28 senyawa berpotensi aktif. Hasil docking molecular senyawa uji menghasilkan
nilai ∆Gbinding pada rentang -5.05 kcal/mol hingga -12.54 kcal/mol. Inhibitor enzim glucosyltransferase terkuat
ditunjukkan oleh senyawa isorhamnetin dan 2,4-Di-t-butylphenol dengan ∆Gbinding masing-masing sebesar -12.54
kcal/mol dan -12.03 kcal/mol. Senyawa arecolidine dan benzoic acid menunjukkan potensi toksik sebanding kontrol
α-maltose, sedangkan 26 senyawa lainnya menunjukkan potensi toksisitas lebih rendah.

The use of natural materials in dental care such as the tradition of “manginang” which has become a culture of the Minang people is considered as an alternative to natural dental care that needs to be developed in overcoming the adverse effects of dental care from synthetic materials. The purpose of this study is to confirm the tradition of “menginang” towards scientific proof through screening of bioactive compounds of areca nut (Areca catechu L) as antibiofilm against Streptococcus mutans bacteria. This research was conducted through an in silico method approach, starting with the collection of ligand data in the form of areca nut bioactive compounds that have been reported from trusted literature sources, while the antibiofilm receptor data is the glucosyltransferase (Gtf) enzyme.S.mutans bacteria downloaded from www.pdb.org (pdb id. 3AIC). All ligand data were converted to SMILE, 2D and 3D formats following the website and application algorithms used. Furthermore, the determination of antibiofilm activity was carried out using the QSAR technique through the website (http://www.way2drug.com/PASSOnline/predict.php). Selected compounds with antibiofilms continued to observe their affinity for receptors through Molecular Docking techniques using the Arguslab 4.01 application. Finally, the pharmacokinetic and toxicity profiles of ligands were observed. Antibiofilm potential of 35 bioactive compounds of areca nut (Areca catechu L.) against glucosyltransferase enzyme through QSAR Way2Drug/PASS technique obtained 28 potentially active compounds and are falovonoid compounds. The molecular docking results of the test compounds produced ∆Gbinding values in the range of -5.05 kcal/mol to -12.54 kcal/mol. The strongest glucosyltransferase enzyme inhibitors were shown by isorhamnetin and 2,4-Di-t-butylphenol compounds with ∆Gbinding of -12.54 kcal/mol and -12.03 kcal/mol, respectively. The compounds arecolidine and benzoic acid showed toxic potential comparable to the α-maltose control, while the other 26 compounds showed lower toxicity potential.