Electronic Theses and Dissertation

Meningkatnya kasus karies gigi serta keterbatasan efektivitas agen antimikroba konvensional mendorong pengembangan alternatif pencegahan yang lebih aman dan berkelanjutan. Daun gambir (Uncaria gambir Roxb.) diketahui memiliki potensi sebagai agen antibiofilm terhadap Streptococcus mutans. Penelitian ini bertujuan untuk mengidentifikasi senyawa bioaktif dalam daun gambir yang berpotensi menghambat aktivitas enzim glucosyltransferase melalui pendekatan in silico. Metode yang digunakan mencakup Quantitative Structure-Activity Relationship (QSAR), molecular docking, serta analisis toksisitas. Dari 40 senyawa bioaktif yang diidentifikasi, terdapat 21 senyawa yang diprediksi berpotensi memiliki efek antibiofilm secara akivitas intrinsiknya, dengan 4 senyawa memiliki potensi yang sama dan nilai afinitas lebih kuat dibandingkan kontrol α-maltosa yang memiliki nilai ∆Gbinding sebesar -13.63 kcal/mol. Senyawa dengan nilai afinitas tertinggi yaitu epicatechin gallate ∆Gbinding sebesar -16.03 kcal/mol. Empat senyawa yang menunjukkan kombinasi nilai aktivitas intrinsik tinggi, afinitas kuat terhadap enzim target, serta profil keamanan yang baik adalah epigallocatechin, hyperoside, isoquercitrin, dan gallic acid.. Penelitian lebih lanjut diperlukan untuk memvalidasi temuan ini serta mendukung pengembangan produk perawatan kesehatan gigi berbasis bahan alami.

Kata Kunci: Antibiofilm, in silico, senyawa, Uncaria gambir Roxb.

The increasing prevalence of dental caries and the limited effectiveness of conventional antimicrobial agents have driven the development of safer and more sustainable preventive alternatives. Gambier (Uncaria gambir Roxb.) has shown potential as an antibiofilm agent against Streptococcus mutans. This study aims to identify bioactive compounds in gambier that may inhibit the activity of the glucosyltransferase enzyme through an in silico approach. The methods employed include Quantitative Structure-Activity Relationship (QSAR), molecular docking, and toxicity analysis. Of the 40 bioactive compounds identified, 21 were predicted to exhibit antibiofilm potential based on their intrinsic activity, with 4 compounds showing comparable potential and stronger binding affinity than the control α-maltose, which had a ∆Gbinding value of -13.63 kcal/mol. The compound with the highest binding affinity was epicatechin gallate, with a ∆Gbinding value of -16.03 kcal/mol. Four compounds—epigallocatechin, hyperoside, isoquercitrin, and gallic acid—were identified as having a combination of high intrinsic activity, strong affinity for the target enzyme, and favorable safety profiles. Further research is needed to validate these findings and support the development of oral health care products based on natural ingredients. Keywords: Antibiofilm, compunds, in silico, Uncaria gambir Roxb.