Therapeutic potential of Coleus amboinicus mediated green caesium carbonate nanoparticles: A combined experimental and computational approach

This study investigates the green synthesis and multifunctional bioactivities of caesium carbonate (Cs₂CO₃) nanoparticles (NPs) using Coleus amboinicus leaf extract rich in flavonoids, alkaloids, and phenolics. The eco-friendly synthesis eliminates toxic reagents while harnessing bioactive phytoconstituents for therapeutic potential. The synthesized NPs were characterized by UV–Visible spectroscopy (λ_max at 288 nm), FTIR (identifying functional groups such as O–H, C = O, and C–O), and SEM, which revealed irregular morphology with particle sizes ranging from 75 to 110 nm. Molecular docking studies demonstrated strong binding affinities (–6.1 to –8.3 kcal·mol⁻¹) of Cs₂CO₃ NP-associated phytochemicals with target proteins involved in oxidative stress (MMP-9) and inflammatory pathways, with ADMET predictions confirming acceptable pharmacokinetic and safety profiles. Antioxidant activity assessed by the DPPH radical scavenging assay showed an IC₅₀ of 84.64 µg·mL⁻¹ for Cs₂CO₃ NPs compared to 28.01 µg·mL⁻¹ for ascorbic acid. Total antioxidant capacity further confirmed significant free radical neutralization potential. Anti-inflammatory activity, evaluated via BSA denaturation inhibition (45.61 % at 500 µg·mL⁻¹) and protease inhibition (46.56 % at 500 µg·mL⁻¹), indicated potential application in managing inflammation-associated disorders. Antibacterial assays revealed notable zones of inhibition against Escherichia coli (up to 20 mm) and Staphylococcus aureus (up to 22 mm) at 60 µg·mL⁻¹, suggesting promising alternatives to conventional antibiotics. Collectively, these findings highlight the potential of C. amboinicus-mediated Cs₂CO₃ NPs as sustainable candidates for antimicrobial, antioxidant, and anti-inflammatory applications.