Potential therapy of Sambiloto plant (Andrographis paniculata) using multi-compounds analysis

Abstract

Introduction: Sambiloto plant (Andrographis paniculata) is often used as herbal medicine plant in Indonesia. Previous evidence indicates the use of a whole plant or single-compound approach. Analysis of multi-compounds is needed to determine the therapeutic potential for standardizing herbal medicine to provide a reliable effect. Methods: An exploratory study searching for the active content of A. paniculata was carried out in the Knapsack program. The chemical structure is analyzed computationally using Prediction of Activity Spectra for Substances (PASS) software. The analysis of the mechanism of action of drug molecules was analyzed using the Search Tool for Interacting Chemicals (STITCH) software. Results: The active content of A. paniculata is 46 types, with 5 of them having 6 effects based on chemical bonds and targeting 12 receptor proteins. Five active contents of A. paniculata include andrographidin A, caffeic acid, chlorogenic acid, wogonin 5-glucoside, and cinnamic acid. Analysis of the mechanism of action of A. paniculata based on 12 target proteins from active ingredients using a multi-compound approach shows 6 unique biological processes. Based on the chemical bonds, 5 active contents of A. paniculata have six effects, including anaphylatoxin receptor antagonist, a beta-adrenergic receptor kinase inhibitor, GABA C receptor agonist, G-protein-coupled receptor kinase inhibitor, Aryl hydrocarbon receptor agonist, and Nicotinic alpha6beta3beta4alpha5 receptor antagonist. Conclusion: There is a therapeutic potential of A. paniculata with multi-compounds analysis. A molecular docking analysis is needed to predict the affinity between the ligand (active ingredient) and the target protein.