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 ecofriendly
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 antiinflammatory
applications.