In vitro anti-infective efficacy of green coffee bean extract against multidrug-resistant bacteria and in silico analysis for drug-like properties of bioactive compounds

Antimicrobial resistance (AMR) poses a significant threat to public health. The emergence and spread of multidrug-resistant (MDR) bacteria, as well as biofilm-associated infections caused by these pathogens, further exacerbate the problem. The clinical repercussions demand new strategies against AMR, including natural products from medicinal plants. This study examines the antimicrobial properties of green coffee bean extract and the drug-like properties of its bioactive compounds. Methanolic extract of green and roasted beans of Coffea arabica and C. canephora was assessed for their antibacterial activity, using the agar-well diffusion assay against test bacteria. The highest zone of growth inhibition (22mm) was observed in green beans of C. arabica against Escherichia coli ATCC 25922. The minimum inhibitory concentration of the active extract ranged from 62.5 µg/mL to 500.0 µg/mL. Quantitative biofilm inhibition through the crystal violet assay revealed E. coli as the most sensitive against the test extract, inhibiting biofilm formation (50%). In contrast, Pseudomonas aeruginosa (PAO1) was least susceptible, inhibiting biofilm formation (7.6%). Phytochemical analysis revealed the presence of alkaloids, flavonoids, phenols, and tannins, also corroborated by FTIR analysis. GC–MS identified quinic acid and caffeine as the primary components of the extract. Molecular docking interactions show strong binding affinities between the bioactive compounds and target proteins, supporting the therapeutic potential of the extract at the molecular level. ADMET profiling confirmed the pharmacological relevance of quinic acid and caffeine with certain limitations. These in vitro and in silico studies highlight green coffee bean extract as a promising natural candidate in treating biofilm-associated, MDR bacterial infections.