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.
