Abstract

MULTIMODAL EVALUATION OF TROPICAL PLANT: PHYTOCHEMICAL CHARACTERIZATION, NANOPARTICLE SYNTHESIS, ENZYME INHIBITION, AND IN SILICO DOCKING INSIGHTS INTO ANTIMICROBIAL AND ANTI-OBESITY THERAPEUTICS

Bharathi V.*, Bhuvana, Anandhi S., Javvadi Lakshmi Aswini, Bhagavathi Kanagaraj

Abstract

Physalis angulata L. (Solanaceae) is a medicinally important herb traditionally used for treating infections, inflammation, and metabolic disorders. The present study employed an integrated experimental and in silico approach to explore its phytochemical profile, nanoparticle synthesis potential, enzyme inhibitory activity, antimicrobial efficacy, and molecular mechanisms. Qualitative and quantitative phytochemical analyses of the methanolic leaf extract revealed the presence of diverse secondary metabolites including flavonoids, terpenoids, alkaloids, tannins, phenols, saponins, and glycosides, indicating a strong bioactive composition. The extract successfully mediated the green synthesis of copper nanoparticles (CuNPs), confirmed by UV–Visible spectroscopy (SPR peak at 290nm), FTIR (functional groups of proteins and phenolics as reducing and capping agents), XRD (crystalline FCC copper structure, 25–30 nm), EDX (Cu 67.18 wt%), and SEM (spherical morphology, 104–124 nm). The synthesized CuNPs exhibited significant dose-dependent inhibitory activity against α-amylase, α-glucosidase, and pancreatic lipase, indicating antiobesity and antidiabetic properties. Furthermore, CuNPs demonstrated antibacterial activity against Escherichia coli, Staphylococcus aureus, and Pseudomonas aeruginosa, as well as antifungal efficacy against Candida albicans and Aspergillus flavus. In silico profiling via the IMPPAT database identified key steroidal lactones—Physalin B, D, F, G, I, and 14α-hydroxyixocarpanolide. SwissTargetPrediction and molecular docking revealed strong interactions of Physalin B with protein Q00796 and 14α-hydroxyixocarpanolide with P28845, supported by favorable binding affinities (≤ −7 kcal/mol). STRING-based pathway enrichment analysis highlighted associations with C-type lectin receptor and TRP channel signaling (antimicrobial response) and AGE-RAGE and carbohydrate metabolism pathways (antidiabetic regulation). Collectively, these findings demonstrate that Physalis angulata possesses a multimodal therapeutic potential through synergistic bioactivity of its phytochemicals and their nanoparticle conjugates. The study provides mechanistic insights into its dual antimicrobial and anti-obesity action, establishing a foundation for further in vivo validation and formulation development in phytomedicine and nanotherapeutics.

Keywords: Physalis angulata, copper nanoparticles, enzyme inhibition, antimicrobial activity, in silico docking, pathway enrichment, drug-likeness, nanomedicine.