Deciphering characteristics of Macaranga tanarius leaves extract with electron shuttle-associated anti-inflammatory activity via microbial fuel cells, molecular docking, and network pharmacology

Abstract

Recent studies have shown that the potential disease-treating characteristics of traditional Chinese medicine (TCM) were associated with electron-shuttling and bioenergy-stimulating capabilities. These redox-mediating characteristics are possibly even beneficial in the treatment of a wide variety of diseases ranging from viral infections to inflammations. This first-attempt study tended to investigate electron-mediating and bioenergyextracting potentials of Macaranga tanarius leaves extract using dual chamber microbial fuel cells (MFCs) to unveil correlations of the anti-inflammatory potential for value-added applications. Network pharmacology and molecular docking studies were conducted with compounds identified to own electron-shuttling capabilities in the leaves extract to determine inhibitory activity with inflammation receptors. M. tanarius has shown significant bioenergy-stimulating characteristics, with the water extract having a 1.72 +/- 0.21-fold power generation. The underlying mechanism of action of M. tanarius was proposed via network pharmacology, suggesting how it targets specific proteins to inhibit potential diseases, such as kidney nephropathy. The findings revealed that major flavonoids bound to receptors via hydrogen bonds and pi-interactions stabilizing the protein-ligand complex. Thus, exhibiting a high binding affinity with inflammation receptors, suggesting how it targets specific proteins to inhibit potential diseases.