Antibacterial and anti-breast cancer activities, GC–MS profiling, molecular docking and pharmacokinetic studies of nutritious white kidney beans

Abstract

White kidney beans (Phaseolus vulgaris L.), a type of common bean, are very noteworthy due to their distinct biological activity and great nutritional value. This study aimed to assess the effectiveness of bean extracts in eliminating bacterial uropathogens, finding the active components of beans, and the potential of their chloroform extract to combat the protein Er-α found in breast cancer cells. Bean extracts with acetone, chloroform, and ethyl acetate showed higher antibacterial action than other extracts against Pseudomonas aeruginosa (MIC, 64 µg/ml), while methanol and acetone extracts were more effective against Klebsiella pneumoniae (MIC, 8 µg/ml), and methanol extract was more inhibitory to Escherichia coli (MIC, 16 µg/ml). The chloroform extract was found to be cytotoxic in MCF-7 cells, with a CC₅₀ value of 3.849 µg/ml based on the MTT experiment. The GC–MS analysis of chloroform extract revealed 17 compounds, with lupeol, 8-pentadecanol, and 2-butoxyethyl oleate being key elements. Molecular docking investigations show that lupeol has a binding affinity of −10.5 Kcal/mol and a stronger interaction with Er-α than 8-pentadecanol and 2-butoxyethyl oleate. The in silico pharmacokinetic and toxicological properties of chosen substances were evaluated using Swiss ADME and admetSAR, and lupeol was found to be satisfactory. Lupeol exhibited a higher Pa score (0.799) for breast cancer prevention than doxorubicin, 2-butoxyethyl oleate, or 8-pentadecanol. The current study indicated the antibacterial importance of methanol and chloroform extracts of P. vulgaris seeds as well as the importance of lupeol from chloroform extract as a potential treatment for breast cancer.