Karakterisasi Senyawa Aktif Ekstrak Buah Belincong (Marsdenia brunoniana) sebagai Imunomodulator secara In Silico serta Pemanfaatannya sebagai Poster Ilmiah

Abstract

Indonesia faces a high number of infectious disease cases. Limited vaccine availability and increasing antibiotic resistance have prompted the need for alternative therapies, such as immunomodulators that modulate the immune response to infection. The potential immunomodulatory plant is belincong (Marsdenia brunoniana), which contains glycerol, phenolic compounds, and alkaloids that have immunomodulatory, antimicrobial, antiinflammatory, and antiviral activities. However, the in silico analysis using molecular docking to predict the interaction of active compounds with the target proteins TNF-α and IL-6 has not been conducted. This study aimed to determine the interaction of active compounds contained in belincong fruit extract with the immunomodulatory activity of target proteins and to determine the feasibility of a scientific poster on the immunomodulatory activity of belincong fruit extract in silico. This study analyzed 28 active compounds from belincong fruit using GC-MS from a previous study through an in silico approach, including prediction of biological activity, toxicity, druglikeness, validation of molecular docking methods, molecular docking with TNF-α and IL-6 proteins, and visualization of interactions. The results showed that most compounds were predicted to have potential as immunomodulators with low toxicity to nontoxic levels and met Lipinski’s Rule of Five criteria. In the molecular docking test, Dexamethasone, as the control ligand, had the highest binding affinity, and four test ligands from each target protein, TNF-α and IL-6, showed affinities close to the control. The interactions were dominated by van der Waals, hydrophobic, and hydrogen bonds. The active compounds in belincong fruit showed potential as immunomodulatory candidates to support infectious disease therapy and warranted further research.