FENILALANIN DARI KEFIR SUSU KAMBING ETAWA SEBAGAI INHIBITOR JAK1/JAK2: POTENSI TERAPI INFLAMASI SISTEMIK DALAM ANALISIS IN SILICO

Phenylalanine from Etawa Goat's Milk Kefir as a JAK1/JAk2 Inhibitor: Potential Therapy for Systemic Inflammatory in In Silico Analysis

Abstrak

Systemic inflammation is a body's response to exposure to infectious and non-infectious diseases. Systemic inflammatory conditions can regulate life-threatening multi-organ dysfunction syndrome. This study aims to analyze the phenylalanine activity of etawa goat milk kefir in inhibiting the JAK1/JAK2 pathway in systemic inflammatory conditions. The research method used in silico molecular docking modeling. The receptors used were JAK1 (PDB ID 6N77) and JAK2 (PDB ID 7Q7L). The test ligand of etawa goat milk kefir used is phenylalamine. The comparator ligand used is baricitinib. The parameters analyzed were RMSD values, affinity energy, inhibition content, organ toxicity test, and receptor-ligand interaction. The data from the research were analyzed descriptively. The RMSD value of JAK1/JAK2 is less than 2 Å, respectively, which is 1.7463 and 1.6307 Å. Affinity energy values showed that phenylalanine had more negative values than baricitinib at the JAK1/JAK2 receptor, which were -5.7/-6.0 and -3.3/-3.5 kcal/mol, respectively. Analysis of %BSS values showed that phenylalanine had a greater value than baricitinib as a comparator drug, even the %BSS value of phenylalanine in JAK1 had a value of > 50%. Organ toxicity tests showed that phenylalanine or baricitinib were not hepatotoxic and nephrotroxic. Based on in silico analysis, it is known that phenylalanine from etawa goat milk kefir has better interacting and inhibiting activity against JAK1/JAK2 than baricitinib. This indicates that phenylalanine from etawa goat's milk kefir has better potential in the development of systemic inflammatory therapy.