Analisis Aktivitas Imunomodulator dan Antiinflamasi Senyawa Bioaktif Fraksi Daun Sungkai (Peronema canescens Jack) Secara In Silico: Analysis of Immunomodulatory and Anti-inflammatory Activities of Bioactive Compounds of Sungkai Leaf Fractions (Peronema canescens Jack) In Silico - Maharani, Viola Giary Rizkillah; Delviani, Delviani; Latief, Madyawati; Tarigan, Indra Lasmana (Fakultas Farmasi, Universitas Mulawarman, Samarinda, Indonesia, 2025)
The immune system recognizes and responds to various pathogens to protect the body. An imbalance in the immune system can lead to uncontrolled inflammation that causes inflammation. The discovery of new agents as immunomodulators and anti-inflammatories is very important in the search for effective drugs for long-term use. Sungkai is a plant with immunomodulatory and anti-inflammatory effects. The purpose of this study is to predict the potential of compounds in sungkai that act as immunomodulators and anti-inflammatory through an in silico approach with molecular docking method. Based on the results of molecular docking of test ligands with COX 1 anti-inflammatory receptor in the form of prostaglandin H2 synthase-1, the best ligands were obtained in the form of 3?-acetoxy-6-nitrocholest-5-ene, Squalen, Quercetin and Apigenin with binding free energy (?G) values of -12.48; -8.26; -8.09; and -7.95 kcal/mol, respectively. Meanwhile, between the test ligands and the IL-6 immunomodulatory receptor in the form of Human Interleukin-6, the best ligands were obtained in the form of 3?-acetoxy-6-nitrocholest-5-ene, Apigenin, Quartzetin and Squalen with binding free energy values (?G) of -5.80; -5.05; -4.70; and -2.81 kcal/mol. Keywords: Immunomodulator, Anti-inflammatory, In Silico, Sungkai Abstrak Sistem kekebalan tubuh merupakan bentuk pengenalan dan respons berbagai patogen dalam melindungi tubuh. Ketidakseimbangan sistem kekebalan dapat menyebabkan inflamasi tidak terkontrol yang menimbulkan peradangan. Penemuan agen baru sebagai imunomodulator dan antiinflamasi sangat penting dalam pencarian obat efektif untuk penggunaan jangka panjang. Sungkai merupakan tumbuhan dengan efek imunomodulator dan antiinflamasi. Tujuan penelitian ini adalah untuk memprediksi potensi senyawa dalam sungkai yang berperan sebagai imunomodulator dan antiinflamasi melalui pendekatan secara in silico dengan metode molecular docking. Berdasarkan hasil molecular docking ligan uji dengan reseptor antiinflamasi COX 1 berupa prostaglandin H2 synthase-1 diperoleh ligan terbaik berupa 3?-acetoxy-6-nitrocholest-5-ene, Squalen, Kuarsetin dan Apigenin dengan nilai energi bebas pengikatan (?G) masing- masing -12.48; -8.26; -8.09; dan -7,95 kkal/mol. Sedangkan antara ligan uji dengan reseptor imunomodulator IL-6 berupa Human Interleukin-6 diperoleh ligan terbaik berupa 3?-acetoxy-6-nitrocholest-5-ene, Apigenin, Kuarsetin dan Squalen nilai energi bebas pengikatan (?G) yaitu -5.80; -5.05; -4.70; dan -2.81 kkal/mol. Kata Kunci: Imunomodulator, Antiinflamasi, In Silico, Sungkai