THE COMPUTATIONAL STUDY REVEALS THE IMMUNOMODULATORY AND ANTIMICROBIAL EFFECTS OF VERNONIA AMYGDALINA EXTRACTLIDWINA TRI KRISTANTI SETIAWAN, JUSAK NUGRAHA, WAHYU DEWI TAMAYANTI AND DIDIK HUSWO UTOMOAbstract Vernonia amygdalina is known to possess immunomodulatory properties, next to their antimicrobial effects. These immunomodulatory activities could enhance the elimination of bacterial infection. This study aimed to give an overview of the existing evidence from in silico studies on the immunomodulatory and antimicrobial effects of Vernonia amygdalina during bacterial infection. Active compounds from Vernonia amygdalina were extracted from KnapSack database. SMILE format was retrieved from PUBCHEM database. Prediction of Immunomodulatory activity was conducted using PASS SERVER. Molecular mechanism of active compounds in the human body was retrieved from STITCH (Search Tool for Interacting Chemicals) which were experimentally and prediction, then were analyzed computationally. Further Pathway analysis used Cytoscape software. The result showed that there is 35 active compound that found in Vernonia amygdalina. Most of the compounds could act as antimicrobial due to the Probability score (Pa) above 0.3. That score indicated that the specific compounds have potential computationally. It is a novel prediction and should be tested experimentally. The result of pathway analysis showed that myricetin, chlorogenic acid luteolin, androgapanin and andrographolide have a correlation with Akt, mTOR and STAT3 protein that has the main role in inflammation mechanism that related to IL-6 and IL-10. It can be concluded that Vernonia amygdalina has strong antimicrobial activity and could act as immunomodulatory by suppressing Akt protein to reduce IL-6 and activating mTOR and STAT3 protein to regulate IL-10.
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