Electronic Theses and Dissertation

Peradangan gigi seperti periodontitis dan pulpitis merupakan masalah kesehatan yang umum terjadi. penggunaan antibiotik dan obat antiinflamasi nonsteroid (oains) dalam penanganannya berpotensi menimbulkan efek samping dan resistensi. daun aleurites moluccanus (kemiri) digunakan secara tradisional sebagai antiinflamasi, namun mekanisme molekuler yang mendasari aktivitas antiinflamasinya pada inflamasi gigi masih memerlukan kajian lebih lanjut. penelitian ini bertujuan menganalisis potensi metabolit bioaktif daun a. moluccanus sebagai agen antiinflamasi pada radang gigi menggunakan pendekatan network pharmacology dan molecular docking. senyawa bioaktif diidentifikasi melalui studi literatur, kemudian diprediksi aktivitas biologis dan target gennya menggunakan pass online dan swiss target prediction. gen terkait inflamasi gigi diperoleh dari gene cards, sedangkan analisis protein-protein interaction (ppi), gene ontology (go) dan kegg dilakukan menggunakan string-db, cytoscape dan shinygo. lima senyawa dengan nilai probability of activity (pa) tertinggi selanjutnya didockingkan terhadap protein target hasil network pharmacology. hasil penelitian mengidentifikasi 26 senyawa bioaktif dengan 259 common target antara target senyawa dan gen terkait inflamasi gigi. analisis ppi menghasilkan 10 hub gene utama yang berperan dalam proses inflamasi. analisis go dan kegg menunjukkan keterlibatan gen target dalam regulasi respon inflamasi dan apoptosis, tnf signaling pathway, regulasi mediator inflamasi pada kanal trp dan diferensiasi sel th17. hasil molecular docking menunjukkan bahwa debiloside memiliki afinitas ikatan tertinggi terhadap cox-1 (−6,146 kkal/mol) dan cox-2 (−6,447 kkal/mol). hasil tersebut menunjukkan bahwa metabolit bioaktif daun a. moluccanus berpotensi dikembangkan sebagai kandidat agen antiinflamasi untuk penanganan radang gigi melalui mekanisme multitarget. kata kunci: aleurites moluccanus, antiinflamasi, network pharmacology, molecular docking, inflamasi gigi

Dental inflammation including periodontitis and pulpitis, is a common oral health problem. The use of antibiotics and nonsteroidal anti-inflammatory drugs (NSAIDs) for its treatment may cause adverse effects and antimicrobial resistance. Aleurites moluccanus (candlenut) leaves have traditionally been used as an anti-inflammatory agent; however, the molecular mechanisms underlying their anti-inflammatory activity in dental inflammation require further investigation. This study aimed to analyze the potential of bioactive metabolites from A. moluccanus leaves as anti-inflammatory agents against dental inflammation using network pharmacology and molecular docking. Bioactive compounds were identified through a literature review, and their biological activities and target genes were predicted using PASS Online and SwissTargetPrediction. Dental inflammation-related genes were retrieved from GeneCards, while Protein-Protein Interaction (PPI), Gene Ontology (GO), and KEGG pathway analyses were performed using STRING-db, Cytoscape, and ShinyGO. The five compounds with the highest Probability of Activity (Pa) values were subjected to molecular docking. The results identified 26 bioactive compounds and 259 common targets associated with dental inflammation. PPI analysis identified 10 key hub genes involved in inflammatory processes. GO and KEGG analyses revealed the involvement of target genes in inflammatory response regulation, apoptosis, the TNF signaling pathway, inflammatory mediator regulation of TRP channels, and Th17 cell differentiation. Molecular docking demonstrated that debiloside exhibited the highest binding affinity toward COX-1 (−6.146 kcal/mol) and COX-2 (−6.447 kcal/mol). These findings suggest that bioactive metabolites from A. moluccanus leaves have the potential to be developed as candidate anti-inflammatory agents for dental inflammation through a multitarget mechanism. Keywords: Aleurites moluccanus, anti-inflammatory, network pharmacology, molecular docking, dental inflammation