In Silico Analysis of Turmeric, Tamarind, and Ginger on the Immune System

Abstract

Immune system needs to be in optimum condition. However, autoimmune diseases occur when the immune system mistakenly attacks the body’s cells, resulting in chronic conditions that require long-term treatment. Current anti-inflammatory and immunosuppressive drugs have significant side effects, highlighting the need for safer and more specific therapeutic alternatives. This study aimed to evaluate turmeric, ginger, and tamarind that have been used traditionally for the drink with benefit for immune system. Compounds from these plants were retrieved from the COCONUT 2.0 database and screened using SwissADME. Target prediction was performed with SwissTargetPrediction and STITCH 5.0, while molecular docking of AKT1, PTGS2, and TP53 was carried out using AutoDockTools-1.5.7. The results show that catechin and kaempferol strongly interact with AKT1, moderately with TP53, and weakly with PTGS2. The number of hydrogen bonds and the involvement of polar residues contributed to complex stability, particularly with AKT1. The results indicated that cathecin and kaempferol in these plants might play an important role as immunomodulatory agents through an in silico analysis. These compounds are not the major constituents of the studied plants. Further research is needed to analyze the primary phytochemicals of these plants and validate their biological activities experimentally.